4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine

C15H22N6O — CID 118771530

IUPAC4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESCc1n[nH]c(C)c1CCNc1cc(C2CCOC2)nc(N)n1
InChIInChI=1S/C15H22N6O/c1-9-12(10(2)21-20-9)3-5-17-14-7-13(18-15(16)19-14)11-4-6-22-8-11/h7,11H,3-6,8H2,1-2H3,(H,20,21)(H3,16,17,18,19)
InChIKeyDALINNIWGWTWPZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.56
Rot. Bonds5

About 4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine

4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine (PubChem CID 118771530) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
PubChem CID118771530
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESCc1n[nH]c(C)c1CCNc1cc(C2CCOC2)nc(N)n1
InChIInChI=1S/C15H22N6O/c1-9-12(10(2)21-20-9)3-5-17-14-7-13(18-15(16)19-14)11-4-6-22-8-11/h7,11H,3-6,8H2,1-2H3,(H,20,21)(H3,16,17,18,19)
InChIKeyDALINNIWGWTWPZ-UHFFFAOYSA-N
XLogP1.56
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol
CID 118760891
4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125178207
4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 119061126
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125164969
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125164970
4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126423060
4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126428680
4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439514
4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439515
6-(3-aminocyclobutyl)-4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 91843305
4-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126452686
4-N-[2-(2-fluorophenoxy)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126424254

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine (CID 118771530) is 4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine is Cc1n[nH]c(C)c1CCNc1cc(C2CCOC2)nc(N)n1.
What is the InChIKey of 4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is DALINNIWGWTWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-9-12(10(2)21-20-9)3-5-17-14-7-13(18-15(16)19-14)11-4-6-22-8-11/h7,11H,3-6,8H2,1-2H3,(H,20,21)(H3,16,17,18,19).
What are the key properties of 4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118771530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).