6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine

C17H20ClN3O — CID 102557069

IUPAC6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(N(Cc2ccc(C3CC3C)o2)C2CC2)n1
InChIInChI=1S/C17H20ClN3O/c1-10-7-14(10)15-6-5-13(22-15)9-21(12-3-4-12)17-8-16(18)19-11(2)20-17/h5-6,8,10,12,14H,3-4,7,9H2,1-2H3
InChIKeyCITVBCWFBJMKST-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.32
Rot. Bonds5

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

6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine (PubChem CID 102557069) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine
PubChem CID102557069
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(N(Cc2ccc(C3CC3C)o2)C2CC2)n1
InChIInChI=1S/C17H20ClN3O/c1-10-7-14(10)15-6-5-13(22-15)9-21(12-3-4-12)17-8-16(18)19-11(2)20-17/h5-6,8,10,12,14H,3-4,7,9H2,1-2H3
InChIKeyCITVBCWFBJMKST-UHFFFAOYSA-N
XLogP4.32
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine
CID 51119638
6-chloro-N-cyclopropyl-N-ethyl-2-methylpyrimidin-4-amine
CID 62482724
N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 133489624
N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 98750432
N-cyclopropyl-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 51079314
2-N-cyclopropyl-2-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-5-nitropyrimidine-2,4-diamine
CID 99803886
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94578733
4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine
CID 79116107
1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea
CID 94160880
1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94181824
6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 62483372

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine (CID 102557069) is 6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine is Cc1nc(Cl)cc(N(Cc2ccc(C3CC3C)o2)C2CC2)n1.
What is the InChIKey of 6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is CITVBCWFBJMKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-10-7-14(10)15-6-5-13(22-15)9-21(12-3-4-12)17-8-16(18)19-11(2)20-17/h5-6,8,10,12,14H,3-4,7,9H2,1-2H3.
What are the key properties of 6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine?
6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 317.82 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 102557069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).