2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine

C17H24N6 — CID 171994687

IUPAC2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)C2CCCN(c3ccccn3)C2)n1
InChIInChI=1S/C17H24N6/c1-21(2)16-9-11-19-17(20-16)22(3)14-7-6-12-23(13-14)15-8-4-5-10-18-15/h4-5,8-11,14H,6-7,12-13H2,1-3H3
InChIKeyKPKMHPHVHVCCMP-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.04
Rot. Bonds4

About 2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine

2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine (PubChem CID 171994687) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
PubChem CID171994687
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)C2CCCN(c3ccccn3)C2)n1
InChIInChI=1S/C17H24N6/c1-21(2)16-9-11-19-17(20-16)22(3)14-7-6-12-23(13-14)15-8-4-5-10-18-15/h4-5,8-11,14H,6-7,12-13H2,1-3H3
InChIKeyKPKMHPHVHVCCMP-UHFFFAOYSA-N
XLogP2.04
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N,4-N-trimethyl-2-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881199
2-N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 171998805
N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
CID 110107181
2-N,2-N-dimethyl-4-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 172900660
N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
N,6-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-2-carboxamide
CID 124981919
2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 126917402
2-N,2-N,4-N-trimethyl-4-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172899884
2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 171998751
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 171996483
(3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine
CID 124975782

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine (CID 171994687) is 2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine is CN(C)c1ccnc(N(C)C2CCCN(c3ccccn3)C2)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine?
The InChIKey is KPKMHPHVHVCCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-21(2)16-9-11-19-17(20-16)22(3)14-7-6-12-23(13-14)15-8-4-5-10-18-15/h4-5,8-11,14H,6-7,12-13H2,1-3H3.
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine?
2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine has a molecular weight of 312.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 171994687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).