4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

C14H21N7 — CID 150943685

IUPAC4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCn1cc(Nc2nccc(NC3(C)CCNCC3)n2)cn1
InChIInChI=1S/C14H21N7/c1-14(4-7-15-8-5-14)20-12-3-6-16-13(19-12)18-11-9-17-21(2)10-11/h3,6,9-10,15H,4-5,7-8H2,1-2H3,(H2,16,18,19,20)
InChIKeyLIPAEIQUFPLQJT-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.51
Rot. Bonds4

About 4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 150943685) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID150943685
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCn1cc(Nc2nccc(NC3(C)CCNCC3)n2)cn1
InChIInChI=1S/C14H21N7/c1-14(4-7-15-8-5-14)20-12-3-6-16-13(19-12)18-11-9-17-21(2)10-11/h3,6,9-10,15H,4-5,7-8H2,1-2H3,(H2,16,18,19,20)
InChIKeyLIPAEIQUFPLQJT-UHFFFAOYSA-N
XLogP1.51
TPSA79.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636750
4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 175733738
4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 118209525
N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine
CID 150455915
2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 107425646
N-[4-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]cyclohexyl]prop-2-ynamide
CID 141378227
4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 151837932
4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 134421040
2,4-difluoro-3-[[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]benzonitrile
CID 90031109
5,6-dimethyl-N-(4-methylpiperidin-4-yl)pyrazin-2-amine
CID 114697083
4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 170326720
5-methyl-N-(1-methylpyrazol-4-yl)-4-trimethylstannylpyrimidin-2-amine
CID 170573572

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 150943685) is 4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is Cn1cc(Nc2nccc(NC3(C)CCNCC3)n2)cn1.
What is the InChIKey of 4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is LIPAEIQUFPLQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-14(4-7-15-8-5-14)20-12-3-6-16-13(19-12)18-11-9-17-21(2)10-11/h3,6,9-10,15H,4-5,7-8H2,1-2H3,(H2,16,18,19,20).
What are the key properties of 4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylpiperidin-4-yl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 150943685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).