2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile

C12H12N4O — CID 107543934

IUPAC2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile
SMILESCC(Cc1ccco1)Nc1nccc(C#N)n1
InChIInChI=1S/C12H12N4O/c1-9(7-11-3-2-6-17-11)15-12-14-5-4-10(8-13)16-12/h2-6,9H,7H2,1H3,(H,14,15,16)
InChIKeyBORLRNCNCMXFQK-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.98
Rot. Bonds4

About 2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile

2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile (PubChem CID 107543934) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile
PubChem CID107543934
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile
SMILESCC(Cc1ccco1)Nc1nccc(C#N)n1
InChIInChI=1S/C12H12N4O/c1-9(7-11-3-2-6-17-11)15-12-14-5-4-10(8-13)16-12/h2-6,9H,7H2,1H3,(H,14,15,16)
InChIKeyBORLRNCNCMXFQK-UHFFFAOYSA-N
XLogP1.98
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxypyrimidin-2-amine
CID 112636994
2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545092
N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine
CID 104840074
3-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 107542834
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile
CID 107545233
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330241
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[1-(furan-2-yl)propan-2-yl]pyrido[2,3-b]pyrazin-6-amine
CID 78988285
N-[1-(furan-2-yl)propan-2-yl]furo[3,2-c]pyridin-4-amine
CID 113243688
5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine
CID 80804226

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile (CID 107543934) is 2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile is CC(Cc1ccco1)Nc1nccc(C#N)n1.
What is the InChIKey of 2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile?
The InChIKey is BORLRNCNCMXFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-9(7-11-3-2-6-17-11)15-12-14-5-4-10(8-13)16-12/h2-6,9H,7H2,1H3,(H,14,15,16).
What are the key properties of 2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile?
2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)propan-2-ylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).