N-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine

C16H21N3O — CID 63479648

IUPACN-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2ccc(C3CC3C)o2)n1
InChIInChI=1S/C16H21N3O/c1-4-5-11-9-15(17-3)19-16(18-11)14-7-6-13(20-14)12-8-10(12)2/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,17,18,19)
InChIKeyPJTAVQVUVUTCRM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.85
Rot. Bonds5

About N-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine

N-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine (PubChem CID 63479648) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine
PubChem CID63479648
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2ccc(C3CC3C)o2)n1
InChIInChI=1S/C16H21N3O/c1-4-5-11-9-15(17-3)19-16(18-11)14-7-6-13(20-14)12-8-10(12)2/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,17,18,19)
InChIKeyPJTAVQVUVUTCRM-UHFFFAOYSA-N
XLogP3.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine
CID 66302389
2-(4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 62191788
2-(2,4-dichlorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63480481
6-ethyl-N-methyl-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 65419357
2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 79584315
2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 103083742
2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine
CID 65399592
2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 107539712
2-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 83091370
N-methyl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62191790
N-methyl-6-propyl-2-quinolin-2-ylpyrimidin-4-amine
CID 63222525
N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867494

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine (CID 63479648) is N-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine is CCCc1cc(NC)nc(-c2ccc(C3CC3C)o2)n1.
What is the InChIKey of N-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine?
The InChIKey is PJTAVQVUVUTCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-5-11-9-15(17-3)19-16(18-11)14-7-6-13(20-14)12-8-10(12)2/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,17,18,19).
What are the key properties of N-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine?
N-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 63479648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).