N-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine

C14H18N4O — CID 70914808

IUPACN-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
SMILESCC[C@@H](C)Nc1nc(-c2ccccn2)ncc1OC
InChIInChI=1S/C14H18N4O/c1-4-10(2)17-14-12(19-3)9-16-13(18-14)11-7-5-6-8-15-11/h5-10H,4H2,1-3H3,(H,16,17,18)/t10-/m1/s1
InChIKeyXGEWWWDFXUHYOS-SNVBAGLBSA-N
MW258.32 g/mol
LogP2.76
Rot. Bonds5

About N-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine

N-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 70914808) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID70914808
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
SMILESCC[C@@H](C)Nc1nc(-c2ccccn2)ncc1OC
InChIInChI=1S/C14H18N4O/c1-4-10(2)17-14-12(19-3)9-16-13(18-14)11-7-5-6-8-15-11/h5-10H,4H2,1-3H3,(H,16,17,18)/t10-/m1/s1
InChIKeyXGEWWWDFXUHYOS-SNVBAGLBSA-N
XLogP2.76
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine (CID 70914808) is N-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine is CC[C@@H](C)Nc1nc(-c2ccccn2)ncc1OC.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is XGEWWWDFXUHYOS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-10(2)17-14-12(19-3)9-16-13(18-14)11-7-5-6-8-15-11/h5-10H,4H2,1-3H3,(H,16,17,18)/t10-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
N-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 70914808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).