4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine

C14H19N5 — CID 80830321

IUPAC4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1cccnc1CNc1ncnc(N)c1C(C)C
InChIInChI=1S/C14H19N5/c1-9(2)12-13(15)18-8-19-14(12)17-7-11-10(3)5-4-6-16-11/h4-6,8-9H,7H2,1-3H3,(H3,15,17,18,19)
InChIKeyWRPFUQGCROGRDE-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.50
Rot. Bonds4

About 4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine

4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80830321) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80830321
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1cccnc1CNc1ncnc(N)c1C(C)C
InChIInChI=1S/C14H19N5/c1-9(2)12-13(15)18-8-19-14(12)17-7-11-10(3)5-4-6-16-11/h4-6,8-9H,7H2,1-3H3,(H3,15,17,18,19)
InChIKeyWRPFUQGCROGRDE-UHFFFAOYSA-N
XLogP2.50
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80771465
5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785534
N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63306311
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80754772
N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 55204242
3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758255
4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80762317
5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 105369414
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 114185482
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80813211
4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908901

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine (CID 80830321) is 4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine is Cc1cccnc1CNc1ncnc(N)c1C(C)C.
What is the InChIKey of 4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is WRPFUQGCROGRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-9(2)12-13(15)18-8-19-14(12)17-7-11-10(3)5-4-6-16-11/h4-6,8-9H,7H2,1-3H3,(H3,15,17,18,19).
What are the key properties of 4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80830321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).