2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile

C16H16N6O — CID 18507276

IUPAC2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile
SMILESCc1ccnc(CNc2nc(N)nc(C3=CCCO3)c2C#N)c1
InChIInChI=1S/C16H16N6O/c1-10-4-5-19-11(7-10)9-20-15-12(8-17)14(21-16(18)22-15)13-3-2-6-23-13/h3-5,7H,2,6,9H2,1H3,(H3,18,20,21,22)
InChIKeyOTFJEMCTGJYMJE-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.01
Rot. Bonds4

About 2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile

2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile (PubChem CID 18507276) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile
PubChem CID18507276
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile
SMILESCc1ccnc(CNc2nc(N)nc(C3=CCCO3)c2C#N)c1
InChIInChI=1S/C16H16N6O/c1-10-4-5-19-11(7-10)9-20-15-12(8-17)14(21-16(18)22-15)13-3-2-6-23-13/h3-5,7H,2,6,9H2,1H3,(H3,18,20,21,22)
InChIKeyOTFJEMCTGJYMJE-UHFFFAOYSA-N
XLogP2.01
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile (CID 18507276) is 2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile is Cc1ccnc(CNc2nc(N)nc(C3=CCCO3)c2C#N)c1.
What is the InChIKey of 2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile?
The InChIKey is OTFJEMCTGJYMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-10-4-5-19-11(7-10)9-20-15-12(8-17)14(21-16(18)22-15)13-3-2-6-23-13/h3-5,7H,2,6,9H2,1H3,(H3,18,20,21,22).
What are the key properties of 2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile?
2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile has a molecular weight of 308.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dihydrofuran-5-yl)-6-[(4-methyl-2-pyridinyl)methylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 18507276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).