4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine

C16H23N5 — CID 50954412

IUPAC4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine
SMILESCc1cnc(NC(c2ccccn2)C(C)C)nc1N(C)C
InChIInChI=1S/C16H23N5/c1-11(2)14(13-8-6-7-9-17-13)19-16-18-10-12(3)15(20-16)21(4)5/h6-11,14H,1-5H3,(H,18,19,20)
InChIKeyXGFPRCMJNBFRCG-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.06
Rot. Bonds5

About 4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine

4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine (PubChem CID 50954412) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine
PubChem CID50954412
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine
SMILESCc1cnc(NC(c2ccccn2)C(C)C)nc1N(C)C
InChIInChI=1S/C16H23N5/c1-11(2)14(13-8-6-7-9-17-13)19-16-18-10-12(3)15(20-16)21(4)5/h6-11,14H,1-5H3,(H,18,19,20)
InChIKeyXGFPRCMJNBFRCG-UHFFFAOYSA-N
XLogP3.06
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 95143763
4-N,4-N,5-trimethyl-2-N-[(2R)-1-pyridin-3-ylpropan-2-yl]pyrimidine-2,4-diamine
CID 95141969
2-N-[2-(dimethylamino)-3-pyridinyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157018593
4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine
CID 95120403
2-N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 135104844
2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80793725
2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 134699655
2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157019644
N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine
CID 116960292
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
5-methyl-2-N-(1-pyridin-2-ylethyl)pyridine-2,4-diamine
CID 83266097
2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 81402344

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine (CID 50954412) is 4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine is Cc1cnc(NC(c2ccccn2)C(C)C)nc1N(C)C.
What is the InChIKey of 4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine?
The InChIKey is XGFPRCMJNBFRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11(2)14(13-8-6-7-9-17-13)19-16-18-10-12(3)15(20-16)21(4)5/h6-11,14H,1-5H3,(H,18,19,20).
What are the key properties of 4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine?
4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine has a molecular weight of 285.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 50954412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).