[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

C15H21N9O — CID 91786602

IUPAC[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESNc1nc(C2CC(N)C2)cc(N2CCN(C(=O)c3ncn[nH]3)CC2)n1
InChIInChI=1S/C15H21N9O/c16-10-5-9(6-10)11-7-12(21-15(17)20-11)23-1-3-24(4-2-23)14(25)13-18-8-19-22-13/h7-10H,1-6,16H2,(H2,17,20,21)(H,18,19,22)
InChIKeyGZFIMYOYKYHOCM-UHFFFAOYSA-N
MW343.40 g/mol
LogP-0.66
Rot. Bonds3

About [4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 91786602) has the molecular formula C15H21N9O and a molecular weight of 343.40 g/mol. Its IUPAC name is [4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID91786602
Molecular FormulaC15H21N9O
Molecular Weight343.40 g/mol
Exact Mass343.19
IUPAC Name[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESNc1nc(C2CC(N)C2)cc(N2CCN(C(=O)c3ncn[nH]3)CC2)n1
InChIInChI=1S/C15H21N9O/c16-10-5-9(6-10)11-7-12(21-15(17)20-11)23-1-3-24(4-2-23)14(25)13-18-8-19-22-13/h7-10H,1-6,16H2,(H2,17,20,21)(H,18,19,22)
InChIKeyGZFIMYOYKYHOCM-UHFFFAOYSA-N
XLogP-0.66
TPSA142.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 91787107
4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 91798018
1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626672
4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 91772177
4-(3-aminocyclobutyl)-6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine;dihydrochloride
CID 154902813
1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146117
4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine
CID 91788988
4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride
CID 154902625
4-cyclopropyl-5-fluoro-2-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 154830778
4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine
CID 91772222
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 159078071
1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol
CID 91779555

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 91786602) is [4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is Nc1nc(C2CC(N)C2)cc(N2CCN(C(=O)c3ncn[nH]3)CC2)n1.
What is the InChIKey of [4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is GZFIMYOYKYHOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N9O/c16-10-5-9(6-10)11-7-12(21-15(17)20-11)23-1-3-24(4-2-23)14(25)13-18-8-19-22-13/h7-10H,1-6,16H2,(H2,17,20,21)(H,18,19,22).
What are the key properties of [4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 343.40 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 91786602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).