N,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine

C18H21N5O — CID 50958750

IUPACN,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(C(C)C)cc(N(C)Cc2cc(-c3ccncc3)no2)n1
InChIInChI=1S/C18H21N5O/c1-12(2)16-10-18(21-13(3)20-16)23(4)11-15-9-17(22-24-15)14-5-7-19-8-6-14/h5-10,12H,11H2,1-4H3
InChIKeyHLSMTKJKKNPLKN-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.59
Rot. Bonds5

About N,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine

N,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 50958750) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID50958750
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(C(C)C)cc(N(C)Cc2cc(-c3ccncc3)no2)n1
InChIInChI=1S/C18H21N5O/c1-12(2)16-10-18(21-13(3)20-16)23(4)11-15-9-17(22-24-15)14-5-7-19-8-6-14/h5-10,12H,11H2,1-4H3
InChIKeyHLSMTKJKKNPLKN-UHFFFAOYSA-N
XLogP3.59
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine (CID 50958750) is N,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine is Cc1nc(C(C)C)cc(N(C)Cc2cc(-c3ccncc3)no2)n1.
What is the InChIKey of N,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is HLSMTKJKKNPLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12(2)16-10-18(21-13(3)20-16)23(4)11-15-9-17(22-24-15)14-5-7-19-8-6-14/h5-10,12H,11H2,1-4H3.
What are the key properties of N,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine?
N,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-propan-2-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 50958750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).