4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine

C15H22N6O — CID 125176371

IUPAC4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCN(CCc1cnn(C)c1)c1cc([C@@H]2CCOC2)nc(N)n1
InChIInChI=1S/C15H22N6O/c1-20(5-3-11-8-17-21(2)9-11)14-7-13(18-15(16)19-14)12-4-6-22-10-12/h7-9,12H,3-6,10H2,1-2H3,(H2,16,18,19)/t12-/m1/s1
InChIKeyNATDMQANLDBYKI-GFCCVEGCSA-N
MW302.38 g/mol
LogP0.98
Rot. Bonds5

About 4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine

4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 125176371) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID125176371
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCN(CCc1cnn(C)c1)c1cc([C@@H]2CCOC2)nc(N)n1
InChIInChI=1S/C15H22N6O/c1-20(5-3-11-8-17-21(2)9-11)14-7-13(18-15(16)19-14)12-4-6-22-10-12/h7-9,12H,3-6,10H2,1-2H3,(H2,16,18,19)/t12-/m1/s1
InChIKeyNATDMQANLDBYKI-GFCCVEGCSA-N
XLogP0.98
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 118769126
4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 53378714
4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126423761
4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 126430763
4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126453900
N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 119064787
4-N-[(5-chloro-2-methoxyphenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126452160
4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 126431503
5-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97435565
4-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126431641
N,2-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 95204089
N-[3-(azepan-1-yl)propyl]-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126444002

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (CID 125176371) is 4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine is CN(CCc1cnn(C)c1)c1cc([C@@H]2CCOC2)nc(N)n1.
What is the InChIKey of 4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is NATDMQANLDBYKI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N6O/c1-20(5-3-11-8-17-21(2)9-11)14-7-13(18-15(16)19-14)12-4-6-22-10-12/h7-9,12H,3-6,10H2,1-2H3,(H2,16,18,19)/t12-/m1/s1.
What are the key properties of 4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 125176371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).