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

C14H16ClN3O — CID 80972164

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
SMILESCc1ccc(CNc2nc(C3CC3)nc(Cl)c2C)o1
InChIInChI=1S/C14H16ClN3O/c1-8-3-6-11(19-8)7-16-13-9(2)12(15)17-14(18-13)10-4-5-10/h3,6,10H,4-5,7H2,1-2H3,(H,16,17,18)
InChIKeyJYIZJHDKOGDUEV-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.83
Rot. Bonds4

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

6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80972164) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
PubChem CID80972164
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
SMILESCc1ccc(CNc2nc(C3CC3)nc(Cl)c2C)o1
InChIInChI=1S/C14H16ClN3O/c1-8-3-6-11(19-8)7-16-13-9(2)12(15)17-14(18-13)10-4-5-10/h3,6,10H,4-5,7H2,1-2H3,(H,16,17,18)
InChIKeyJYIZJHDKOGDUEV-UHFFFAOYSA-N
XLogP3.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80978050
2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196538
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 80970425
6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194508
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 106194712
6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80970322
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 106193577
6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414813
6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459286
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 106038646
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine
CID 113471962
3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80978642

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine (CID 80972164) is 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine is Cc1ccc(CNc2nc(C3CC3)nc(Cl)c2C)o1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is JYIZJHDKOGDUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-8-3-6-11(19-8)7-16-13-9(2)12(15)17-14(18-13)10-4-5-10/h3,6,10H,4-5,7H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 277.75 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80972164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).