2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine

C17H28N4O — CID 119070768

IUPAC2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
SMILESCc1nc(NCCCCN2CCCC2)cc(C2CCOC2)n1
InChIInChI=1S/C17H28N4O/c1-14-19-16(15-6-11-22-13-15)12-17(20-14)18-7-2-3-8-21-9-4-5-10-21/h12,15H,2-11,13H2,1H3,(H,18,19,20)
InChIKeyWBJSAZVKVCPNCI-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.58
Rot. Bonds7

About 2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine

2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine (PubChem CID 119070768) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
PubChem CID119070768
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
SMILESCc1nc(NCCCCN2CCCC2)cc(C2CCOC2)n1
InChIInChI=1S/C17H28N4O/c1-14-19-16(15-6-11-22-13-15)12-17(20-14)18-7-2-3-8-21-9-4-5-10-21/h12,15H,2-11,13H2,1H3,(H,18,19,20)
InChIKeyWBJSAZVKVCPNCI-UHFFFAOYSA-N
XLogP2.58
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(3S)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylbutylamino)pyrimidin-2-yl]azetidin-3-ol
CID 126438720
6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 126444749
2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine
CID 126450304
4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126423060
2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine
CID 126426383
2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol
CID 126446619
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
CID 72914778
2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126446462
N-(2-benzylsulfanylethyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126430241
N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 126452994
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
CID 118782464
6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66327743

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine (CID 119070768) is 2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine is Cc1nc(NCCCCN2CCCC2)cc(C2CCOC2)n1.
What is the InChIKey of 2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine?
The InChIKey is WBJSAZVKVCPNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14-19-16(15-6-11-22-13-15)12-17(20-14)18-7-2-3-8-21-9-4-5-10-21/h12,15H,2-11,13H2,1H3,(H,18,19,20).
What are the key properties of 2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine?
2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine has a molecular weight of 304.44 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 119070768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).