6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine

C14H16ClN3O — CID 80953868

IUPAC6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1ccc(C(C)Nc2cc(Cl)nc(C3CC3)n2)o1
InChIInChI=1S/C14H16ClN3O/c1-8-3-6-11(19-8)9(2)16-13-7-12(15)17-14(18-13)10-4-5-10/h3,6-7,9-10H,4-5H2,1-2H3,(H,16,17,18)
InChIKeyJMDDJHOARAVTAR-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.08
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 80953868) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
PubChem CID80953868
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1ccc(C(C)Nc2cc(Cl)nc(C3CC3)n2)o1
InChIInChI=1S/C14H16ClN3O/c1-8-3-6-11(19-8)9(2)16-13-7-12(15)17-14(18-13)10-4-5-10/h3,6-7,9-10H,4-5H2,1-2H3,(H,16,17,18)
InChIKeyJMDDJHOARAVTAR-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80953116
6-chloro-2-cyclopropyl-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine
CID 107257730
6-chloro-2-cyclopropyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine
CID 133432547
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
6-chloro-2-cyclopropyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]pyrimidin-4-amine
CID 133418717
6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine
CID 80950895
6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80948779
6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80950968
6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 112724390
6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80953581
6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
CID 133421183
6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 80950847

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine (CID 80953868) is 6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine is Cc1ccc(C(C)Nc2cc(Cl)nc(C3CC3)n2)o1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is JMDDJHOARAVTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-8-3-6-11(19-8)9(2)16-13-7-12(15)17-14(18-13)10-4-5-10/h3,6-7,9-10H,4-5H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 277.75 g/mol, XLogP of 4.08, 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-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80953868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).