4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine

C17H24N6 — CID 171996700

IUPAC4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCc1cccnc1N1CCCC(Nc2nccc(N(C)C)n2)C1
InChIInChI=1S/C17H24N6/c1-13-6-4-9-18-16(13)23-11-5-7-14(12-23)20-17-19-10-8-15(21-17)22(2)3/h4,6,8-10,14H,5,7,11-12H2,1-3H3,(H,19,20,21)
InChIKeyPAJBQDBBHLIZLB-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.33
Rot. Bonds4

About 4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 171996700) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine
PubChem CID171996700
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCc1cccnc1N1CCCC(Nc2nccc(N(C)C)n2)C1
InChIInChI=1S/C17H24N6/c1-13-6-4-9-18-16(13)23-11-5-7-14(12-23)20-17-19-10-8-15(21-17)22(2)3/h4,6,8-10,14H,5,7,11-12H2,1-3H3,(H,19,20,21)
InChIKeyPAJBQDBBHLIZLB-UHFFFAOYSA-N
XLogP2.33
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine (CID 171996700) is 4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine is Cc1cccnc1N1CCCC(Nc2nccc(N(C)C)n2)C1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is PAJBQDBBHLIZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-13-6-4-9-18-16(13)23-11-5-7-14(12-23)20-17-19-10-8-15(21-17)22(2)3/h4,6,8-10,14H,5,7,11-12H2,1-3H3,(H,19,20,21).
What are the key properties of 4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 312.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 171996700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).