6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine

C11H16N6 — CID 39782311

IUPAC6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(N[C@@H](C)c2cnn(C)c2)nc(N)n1
InChIInChI=1S/C11H16N6/c1-7-4-10(16-11(12)14-7)15-8(2)9-5-13-17(3)6-9/h4-6,8H,1-3H3,(H3,12,14,15,16)/t8-/m0/s1
InChIKeyDGYQNQAJAMQKEW-QMMMGPOBSA-N
MW232.29 g/mol
LogP1.27
Rot. Bonds3

About 6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine

6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 39782311) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID39782311
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(N[C@@H](C)c2cnn(C)c2)nc(N)n1
InChIInChI=1S/C11H16N6/c1-7-4-10(16-11(12)14-7)15-8(2)9-5-13-17(3)6-9/h4-6,8H,1-3H3,(H3,12,14,15,16)/t8-/m0/s1
InChIKeyDGYQNQAJAMQKEW-QMMMGPOBSA-N
XLogP1.27
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 112724390
2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288462
2-tert-butyl-6-(methoxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 133402332
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112726778
6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 114286323
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
CID 115376804
1-(1-methylpyrazol-4-yl)ethylthiourea
CID 130520619
N-[1-(1-methylpyrazol-4-yl)ethyl]formamide
CID 130520642
4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 79033479
4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
CID 80769538

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine (CID 39782311) is 6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine is Cc1cc(N[C@@H](C)c2cnn(C)c2)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is DGYQNQAJAMQKEW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N6/c1-7-4-10(16-11(12)14-7)15-8(2)9-5-13-17(3)6-9/h4-6,8H,1-3H3,(H3,12,14,15,16)/t8-/m0/s1.
What are the key properties of 6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine?
6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 39782311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).