4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine

C20H28N8 — CID 159095598

IUPAC4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESC=C1CN(c2ccnc(Nc3ccc(N4CCN(C)CC4)cn3)n2)[C@@H](C)CN1
InChIInChI=1S/C20H28N8/c1-15-14-28(16(2)12-22-15)19-6-7-21-20(25-19)24-18-5-4-17(13-23-18)27-10-8-26(3)9-11-27/h4-7,13,16,22H,1,8-12,14H2,2-3H3,(H,21,23,24,25)/t16-/m0/s1
InChIKeyHHWZHKCLEIFWFS-INIZCTEOSA-N
MW380.50 g/mol
LogP1.68
Rot. Bonds4

About 4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine

4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 159095598) has the molecular formula C20H28N8 and a molecular weight of 380.50 g/mol. Its IUPAC name is 4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID159095598
Molecular FormulaC20H28N8
Molecular Weight380.50 g/mol
Exact Mass380.24
IUPAC Name4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESC=C1CN(c2ccnc(Nc3ccc(N4CCN(C)CC4)cn3)n2)[C@@H](C)CN1
InChIInChI=1S/C20H28N8/c1-15-14-28(16(2)12-22-15)19-6-7-21-20(25-19)24-18-5-4-17(13-23-18)27-10-8-26(3)9-11-27/h4-7,13,16,22H,1,8-12,14H2,2-3H3,(H,21,23,24,25)/t16-/m0/s1
InChIKeyHHWZHKCLEIFWFS-INIZCTEOSA-N
XLogP1.68
TPSA72.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(5S)-5-methyl-4-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-oxopiperazine-1-carboxylic acid
CID 138595666
4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 158478329
1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-5-propan-2-ylpyrazolidin-3-one
CID 138595637
(5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one
CID 138595624
4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 135286568
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[3,2-d]pyrimidin-2-amine
CID 151602434
10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,7,8,11-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraene-13,1'-cyclohexane]-4-amine
CID 166686126
4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-11-one
CID 118462048
10-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[3,5,8,9,11-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraene-13,1'-cyclohexane]-4-amine
CID 166686087
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
CID 142567302
4-N-(2,6-dimethylphenyl)-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 175425727
5-chloro-4-N-(3-methylphenyl)-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 155665859

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine (CID 159095598) is 4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine is C=C1CN(c2ccnc(Nc3ccc(N4CCN(C)CC4)cn3)n2)[C@@H](C)CN1.
What is the InChIKey of 4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is HHWZHKCLEIFWFS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N8/c1-15-14-28(16(2)12-22-15)19-6-7-21-20(25-19)24-18-5-4-17(13-23-18)27-10-8-26(3)9-11-27/h4-7,13,16,22H,1,8-12,14H2,2-3H3,(H,21,23,24,25)/t16-/m0/s1.
What are the key properties of 4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 380.50 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 159095598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).