6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile

C15H17N5O — CID 107552003

IUPAC6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCc2cccnc2OC(C)C)n1
InChIInChI=1S/C15H17N5O/c1-10(2)21-14-12(5-4-6-17-14)9-18-15-19-11(3)7-13(8-16)20-15/h4-7,10H,9H2,1-3H3,(H,18,19,20)
InChIKeyIIKBVDRIBUBICS-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.45
Rot. Bonds5

About 6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile

6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile (PubChem CID 107552003) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile
PubChem CID107552003
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCc2cccnc2OC(C)C)n1
InChIInChI=1S/C15H17N5O/c1-10(2)21-14-12(5-4-6-17-14)9-18-15-19-11(3)7-13(8-16)20-15/h4-7,10H,9H2,1-3H3,(H,18,19,20)
InChIKeyIIKBVDRIBUBICS-UHFFFAOYSA-N
XLogP2.45
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839394
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 63208632
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 115586120
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
4,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 65169702
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114769703
2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383463
2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107543250
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 107911473
3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 51082279

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile (CID 107552003) is 6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NCc2cccnc2OC(C)C)n1.
What is the InChIKey of 6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile?
The InChIKey is IIKBVDRIBUBICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10(2)21-14-12(5-4-6-17-14)9-18-15-19-11(3)7-13(8-16)20-15/h4-7,10H,9H2,1-3H3,(H,18,19,20).
What are the key properties of 6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile?
6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile has a molecular weight of 283.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).