N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine

C17H30N6 — CID 77087221

IUPACN,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine
SMILESCN1CCC(N2CCN(Cc3cnc(N(C)C)nc3)CC2)CC1
InChIInChI=1S/C17H30N6/c1-20(2)17-18-12-15(13-19-17)14-22-8-10-23(11-9-22)16-4-6-21(3)7-5-16/h12-13,16H,4-11,14H2,1-3H3
InChIKeyHPLWVJGDAZDQCA-UHFFFAOYSA-N
MW318.47 g/mol
LogP0.75
Rot. Bonds4

About N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine

N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 77087221) has the molecular formula C17H30N6 and a molecular weight of 318.47 g/mol. Its IUPAC name is N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine
PubChem CID77087221
Molecular FormulaC17H30N6
Molecular Weight318.47 g/mol
Exact Mass318.25
IUPAC NameN,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine
SMILESCN1CCC(N2CCN(Cc3cnc(N(C)C)nc3)CC2)CC1
InChIInChI=1S/C17H30N6/c1-20(2)17-18-12-15(13-19-17)14-22-8-10-23(11-9-22)16-4-6-21(3)7-5-16/h12-13,16H,4-11,14H2,1-3H3
InChIKeyHPLWVJGDAZDQCA-UHFFFAOYSA-N
XLogP0.75
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine
CID 126891791
N,N-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrimidin-2-amine
CID 120968118
(7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 167849942
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 937246
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide
CID 77097348
N,N-dimethyl-5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 110096277
7-benzyl-N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 71554424
N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride
CID 154901165
(4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol
CID 99937329
3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 21109896
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 171994115
6-cyclopropyl-2-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865361

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine (CID 77087221) is N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine is CN1CCC(N2CCN(Cc3cnc(N(C)C)nc3)CC2)CC1.
What is the InChIKey of N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is HPLWVJGDAZDQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6/c1-20(2)17-18-12-15(13-19-17)14-22-8-10-23(11-9-22)16-4-6-21(3)7-5-16/h12-13,16H,4-11,14H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine?
N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 318.47 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 77087221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).