6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine

C20H27N5 — CID 91796010

IUPAC6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine
SMILESNC1CC(c2cc(NCc3cccc(CN4CCCC4)c3)ncn2)C1
InChIInChI=1S/C20H27N5/c21-18-9-17(10-18)19-11-20(24-14-23-19)22-12-15-4-3-5-16(8-15)13-25-6-1-2-7-25/h3-5,8,11,14,17-18H,1-2,6-7,9-10,12-13,21H2,(H,22,23,24)
InChIKeyOJCAMTWVKVFQMT-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.89
Rot. Bonds6

About 6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 91796010) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID91796010
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine
SMILESNC1CC(c2cc(NCc3cccc(CN4CCCC4)c3)ncn2)C1
InChIInChI=1S/C20H27N5/c21-18-9-17(10-18)19-11-20(24-14-23-19)22-12-15-4-3-5-16(8-15)13-25-6-1-2-7-25/h3-5,8,11,14,17-18H,1-2,6-7,9-10,12-13,21H2,(H,22,23,24)
InChIKeyOJCAMTWVKVFQMT-UHFFFAOYSA-N
XLogP2.89
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine 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

6-(3-aminocyclobutyl)-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 91796687
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297513
6-[[3-(piperidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfinate
CID 129173932
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62438354
[1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133297512
6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride
CID 154902639
N-[(3-chlorophenyl)methyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69182351
3-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119867333
6-(3-aminocyclobutyl)-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]pyrimidin-4-amine;dihydrochloride
CID 154901870
6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154903401
6-(3-aminocyclobutyl)-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine
CID 91788150
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine (CID 91796010) is 6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine is NC1CC(c2cc(NCc3cccc(CN4CCCC4)c3)ncn2)C1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is OJCAMTWVKVFQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c21-18-9-17(10-18)19-11-20(24-14-23-19)22-12-15-4-3-5-16(8-15)13-25-6-1-2-7-25/h3-5,8,11,14,17-18H,1-2,6-7,9-10,12-13,21H2,(H,22,23,24).
What are the key properties of 6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 337.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 91796010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).