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

C15H20N4O — CID 80962005

IUPAC2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine
SMILESCC(CCc1ccco1)Nc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C15H20N4O/c1-10(4-7-12-3-2-8-20-12)17-14-9-13(16)18-15(19-14)11-5-6-11/h2-3,8-11H,4-7H2,1H3,(H3,16,17,18,19)
InChIKeyVLOAGBVXVSFIIY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.96
Rot. Bonds6

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

2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine (PubChem CID 80962005) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine
PubChem CID80962005
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine
SMILESCC(CCc1ccco1)Nc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C15H20N4O/c1-10(4-7-12-3-2-8-20-12)17-14-9-13(16)18-15(19-14)11-5-6-11/h2-3,8-11H,4-7H2,1H3,(H3,16,17,18,19)
InChIKeyVLOAGBVXVSFIIY-UHFFFAOYSA-N
XLogP2.96
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80960549
4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
CID 129372160
2-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyridine-2,5-diamine
CID 79173050
2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine
CID 80958842
2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one
CID 136974495
N-[4-(furan-2-yl)butan-2-yl]pyridazin-3-amine
CID 62482242
N-[4-(furan-2-yl)butan-2-yl]quinoxalin-2-amine
CID 60716487
2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine
CID 55080552
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine
CID 103888310
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine
CID 83004449
2-N-[4-(furan-2-yl)butan-2-yl]-3-nitropyridine-2,6-diamine
CID 80805005

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine (CID 80962005) is 2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine is CC(CCc1ccco1)Nc1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine?
The InChIKey is VLOAGBVXVSFIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(4-7-12-3-2-8-20-12)17-14-9-13(16)18-15(19-14)11-5-6-11/h2-3,8-11H,4-7H2,1H3,(H3,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80962005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).