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

C15H22N6O — CID 119071512

IUPAC4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(C)n(CCNc2cc(C3CCOC3)nc(N)n2)n1
InChIInChI=1S/C15H22N6O/c1-10-7-11(2)21(20-10)5-4-17-14-8-13(18-15(16)19-14)12-3-6-22-9-12/h7-8,12H,3-6,9H2,1-2H3,(H3,16,17,18,19)
InChIKeyQLNQTEGMDGKNOZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.49
Rot. Bonds5

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

4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine (PubChem CID 119071512) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
PubChem CID119071512
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(C)n(CCNc2cc(C3CCOC3)nc(N)n2)n1
InChIInChI=1S/C15H22N6O/c1-10-7-11(2)21(20-10)5-4-17-14-8-13(18-15(16)19-14)12-3-6-22-9-12/h7-8,12H,3-6,9H2,1-2H3,(H3,16,17,18,19)
InChIKeyQLNQTEGMDGKNOZ-UHFFFAOYSA-N
XLogP1.49
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine (CID 119071512) is 4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine is Cc1cc(C)n(CCNc2cc(C3CCOC3)nc(N)n2)n1.
What is the InChIKey of 4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is QLNQTEGMDGKNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-7-11(2)21(20-10)5-4-17-14-8-13(18-15(16)19-14)12-3-6-22-9-12/h7-8,12H,3-6,9H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 119071512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).