3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine

C17H24N4 — CID 62744216

IUPAC3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1nc(-c2cccnc2)nc(C)c1CCCNC(C)C
InChIInChI=1S/C17H24N4/c1-12(2)19-10-6-8-16-13(3)20-17(21-14(16)4)15-7-5-9-18-11-15/h5,7,9,11-12,19H,6,8,10H2,1-4H3
InChIKeyZJGCASFWKZATJX-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.09
Rot. Bonds6

About 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine

3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 62744216) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
PubChem CID62744216
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1nc(-c2cccnc2)nc(C)c1CCCNC(C)C
InChIInChI=1S/C17H24N4/c1-12(2)19-10-6-8-16-13(3)20-17(21-14(16)4)15-7-5-9-18-11-15/h5,7,9,11-12,19H,6,8,10H2,1-4H3
InChIKeyZJGCASFWKZATJX-UHFFFAOYSA-N
XLogP3.09
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-ethylpropan-1-amine
CID 62745259
N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]-2-methylpropan-2-amine
CID 62744601
N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744074
N-[2-[4,6-dimethyl-2-(3-methyl-2-pyridinyl)pyrimidin-5-yl]ethyl]propan-2-amine
CID 62744066
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
5-(1-chloroethyl)-4-methyl-2-pyridin-3-ylpyrimidine
CID 62771047
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62744746
2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 86794201
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62744572
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
3-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)-N-ethylpropan-1-amine
CID 62745258

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine (CID 62744216) is 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine is Cc1nc(-c2cccnc2)nc(C)c1CCCNC(C)C.
What is the InChIKey of 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is ZJGCASFWKZATJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(2)19-10-6-8-16-13(3)20-17(21-14(16)4)15-7-5-9-18-11-15/h5,7,9,11-12,19H,6,8,10H2,1-4H3.
What are the key properties of 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 284.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62744216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).