[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone

C19H30N6O — CID 91787107

IUPAC[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESNc1nc(C2CC(N)C2)cc(N2CCC(C(=O)N3CCCCC3)CC2)n1
InChIInChI=1S/C19H30N6O/c20-15-10-14(11-15)16-12-17(23-19(21)22-16)24-8-4-13(5-9-24)18(26)25-6-2-1-3-7-25/h12-15H,1-11,20H2,(H2,21,22,23)
InChIKeyCFDWZLCVVNTXMG-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.49
Rot. Bonds3

About [1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 91787107) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is [1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID91787107
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESNc1nc(C2CC(N)C2)cc(N2CCC(C(=O)N3CCCCC3)CC2)n1
InChIInChI=1S/C19H30N6O/c20-15-10-14(11-15)16-12-17(23-19(21)22-16)24-8-4-13(5-9-24)18(26)25-6-2-1-3-7-25/h12-15H,1-11,20H2,(H2,21,22,23)
InChIKeyCFDWZLCVVNTXMG-UHFFFAOYSA-N
XLogP1.49
TPSA101.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride
CID 154902521
4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine
CID 91788988
4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 91772177
4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 91798018
[4-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 91786602
4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine
CID 91772222
4-(3-aminocyclobutyl)-6-[4-(2-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine;dihydrochloride
CID 154902487
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 159078071
4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
CID 119059512
4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine
CID 91791199
(3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 97112972
4-(3-aminocyclobutyl)-6-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrimidin-2-amine;dihydrochloride
CID 154902651

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 91787107) is [1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone is Nc1nc(C2CC(N)C2)cc(N2CCC(C(=O)N3CCCCC3)CC2)n1.
What is the InChIKey of [1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is CFDWZLCVVNTXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c20-15-10-14(11-15)16-12-17(23-19(21)22-16)24-8-4-13(5-9-24)18(26)25-6-2-1-3-7-25/h12-15H,1-11,20H2,(H2,21,22,23).
What are the key properties of [1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 358.49 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 91787107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).