2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine

C14H21N7 — CID 154369854

IUPAC2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine
SMILESCN1CCN(c2ccc(C3(N)N=C(N)C=CN3)nc2)CC1
InChIInChI=1S/C14H21N7/c1-20-6-8-21(9-7-20)11-2-3-12(17-10-11)14(16)18-5-4-13(15)19-14/h2-5,10,18H,6-9,16H2,1H3,(H2,15,19)
InChIKeyRLFJVTJMLKHIGE-UHFFFAOYSA-N
MW287.37 g/mol
LogP-0.62
Rot. Bonds2

About 2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine

2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine (PubChem CID 154369854) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine
PubChem CID154369854
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine
SMILESCN1CCN(c2ccc(C3(N)N=C(N)C=CN3)nc2)CC1
InChIInChI=1S/C14H21N7/c1-20-6-8-21(9-7-20)11-2-3-12(17-10-11)14(16)18-5-4-13(15)19-14/h2-5,10,18H,6-9,16H2,1H3,(H2,15,19)
InChIKeyRLFJVTJMLKHIGE-UHFFFAOYSA-N
XLogP-0.62
TPSA95.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-chloro-3-pyridinyl)-4-methylpiperazine
CID 75355748
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
CID 142567302
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpyridin-2-amine
CID 90810476
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 171350063
5-(4-methyl-1,4-diazepan-1-yl)pyridine-2-carbothioamide
CID 113320771
1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine
CID 139538940
2,2-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 47215724
ethane;[4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]methanamine
CID 143901704
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113025882
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[3,2-d]pyrimidin-2-amine
CID 151602434
3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-indazole
CID 167350617
[1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672926

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine (CID 154369854) is 2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine is CN1CCN(c2ccc(C3(N)N=C(N)C=CN3)nc2)CC1.
What is the InChIKey of 2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is RLFJVTJMLKHIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-20-6-8-21(9-7-20)11-2-3-12(17-10-11)14(16)18-5-4-13(15)19-14/h2-5,10,18H,6-9,16H2,1H3,(H2,15,19).
What are the key properties of 2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine?
2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154369854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).