4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine

C14H22N6 — CID 95128656

IUPAC4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine
SMILESCc1cnc(N[C@@H](C)CCn2cccn2)nc1N(C)C
InChIInChI=1S/C14H22N6/c1-11-10-15-14(18-13(11)19(3)4)17-12(2)6-9-20-8-5-7-16-20/h5,7-8,10,12H,6,9H2,1-4H3,(H,15,17,18)/t12-/m0/s1
InChIKeySQJKKKOUFNYUKV-LBPRGKRZSA-N
MW274.37 g/mol
LogP1.94
Rot. Bonds6

About 4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine

4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine (PubChem CID 95128656) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine
PubChem CID95128656
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine
SMILESCc1cnc(N[C@@H](C)CCn2cccn2)nc1N(C)C
InChIInChI=1S/C14H22N6/c1-11-10-15-14(18-13(11)19(3)4)17-12(2)6-9-20-8-5-7-16-20/h5,7-8,10,12H,6,9H2,1-4H3,(H,15,17,18)/t12-/m0/s1
InChIKeySQJKKKOUFNYUKV-LBPRGKRZSA-N
XLogP1.94
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227255
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227319
N-butyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227326
4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69091994
4-N-methyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092378
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 118725542
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine
CID 155513612
1-Ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134133048
5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53466962
5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467182

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine (CID 95128656) is 4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine is Cc1cnc(N[C@@H](C)CCn2cccn2)nc1N(C)C.
What is the InChIKey of 4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine?
The InChIKey is SQJKKKOUFNYUKV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N6/c1-11-10-15-14(18-13(11)19(3)4)17-12(2)6-9-20-8-5-7-16-20/h5,7-8,10,12H,6,9H2,1-4H3,(H,15,17,18)/t12-/m0/s1.
What are the key properties of 4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine?
4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 95128656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).