2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine

C14H18ClN3O — CID 80953409

IUPAC2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1cc(Cl)nc(C(C)(C)C)n1)c1ccco1
InChIInChI=1S/C14H18ClN3O/c1-9(10-6-5-7-19-10)16-12-8-11(15)17-13(18-12)14(2,3)4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyVIRYSAMUYMEKNI-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.19
Rot. Bonds3

About 2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine

2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 80953409) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
PubChem CID80953409
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1cc(Cl)nc(C(C)(C)C)n1)c1ccco1
InChIInChI=1S/C14H18ClN3O/c1-9(10-6-5-7-19-10)16-12-8-11(15)17-13(18-12)14(2,3)4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyVIRYSAMUYMEKNI-UHFFFAOYSA-N
XLogP4.19
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine (CID 80953409) is 2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine is CC(Nc1cc(Cl)nc(C(C)(C)C)n1)c1ccco1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is VIRYSAMUYMEKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9(10-6-5-7-19-10)16-12-8-11(15)17-13(18-12)14(2,3)4/h5-9H,1-4H3,(H,16,17,18).
What are the key properties of 2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 279.77 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80953409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).