2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine

C13H16N4O — CID 80960549

IUPAC2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESNc1cc(NCCc2ccco2)nc(C2CC2)n1
InChIInChI=1S/C13H16N4O/c14-11-8-12(17-13(16-11)9-3-4-9)15-6-5-10-2-1-7-18-10/h1-2,7-9H,3-6H2,(H3,14,15,16,17)
InChIKeyHQHUSBDEJGYJOV-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.18
Rot. Bonds5

About 2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine

2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80960549) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80960549
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESNc1cc(NCCc2ccco2)nc(C2CC2)n1
InChIInChI=1S/C13H16N4O/c14-11-8-12(17-13(16-11)9-3-4-9)15-6-5-10-2-1-7-18-10/h1-2,7-9H,3-6H2,(H3,14,15,16,17)
InChIKeyHQHUSBDEJGYJOV-UHFFFAOYSA-N
XLogP2.18
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine
CID 80962005
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 114185577
2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80961915
2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80968050
2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80964340
2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80960709
4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80941818
2-cyclopropyl-4-N-(4-methoxybutyl)pyrimidine-4,6-diamine
CID 80957499
N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80967424
3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 61469743
2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 121206040

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine (CID 80960549) is 2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine is Nc1cc(NCCc2ccco2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is HQHUSBDEJGYJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-11-8-12(17-13(16-11)9-3-4-9)15-6-5-10-2-1-7-18-10/h1-2,7-9H,3-6H2,(H3,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 244.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80960549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).