6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine

C14H15N5O — CID 53015130

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(NCc3ccco3)ncn2)n1
InChIInChI=1S/C14H15N5O/c1-10-6-11(2)19(18-10)14-7-13(16-9-17-14)15-8-12-4-3-5-20-12/h3-7,9H,8H2,1-2H3,(H,15,16,17)
InChIKeyQTXANCLABQWXGC-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.48
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine

6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 53015130) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine
PubChem CID53015130
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(NCc3ccco3)ncn2)n1
InChIInChI=1S/C14H15N5O/c1-10-6-11(2)19(18-10)14-7-13(16-9-17-14)15-8-12-4-3-5-20-12/h3-7,9H,8H2,1-2H3,(H,15,16,17)
InChIKeyQTXANCLABQWXGC-UHFFFAOYSA-N
XLogP2.48
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 53015129
4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858600
6-N-(furan-2-ylmethyl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112858616
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858614
4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858549
6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858658
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenylhydrazine
CID 3091883
4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858634
4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858686
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 155975164
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858581
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylacetamide
CID 56699991

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine (CID 53015130) is 6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine is Cc1cc(C)n(-c2cc(NCc3ccco3)ncn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is QTXANCLABQWXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-6-11(2)19(18-10)14-7-13(16-9-17-14)15-8-12-4-3-5-20-12/h3-7,9H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 269.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 53015130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).