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

C16H23N5 — CID 82751429

IUPAC4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCc1cccnc1CNc1cc(NC)nc(C(C)C)n1
InChIInChI=1S/C16H23N5/c1-5-12-7-6-8-18-13(12)10-19-15-9-14(17-4)20-16(21-15)11(2)3/h6-9,11H,5,10H2,1-4H3,(H2,17,19,20,21)
InChIKeyNBMAZJPSLLVGEJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.21
Rot. Bonds6

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

4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 82751429) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID82751429
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCc1cccnc1CNc1cc(NC)nc(C(C)C)n1
InChIInChI=1S/C16H23N5/c1-5-12-7-6-8-18-13(12)10-19-15-9-14(17-4)20-16(21-15)11(2)3/h6-9,11H,5,10H2,1-4H3,(H2,17,19,20,21)
InChIKeyNBMAZJPSLLVGEJ-UHFFFAOYSA-N
XLogP3.21
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 82739374
2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 82746668
4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106900939
2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136976617
6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 82748226
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106378503
4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956053
N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106972962
6-N-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957538
4-N-[(3,4-difluorophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961685
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106304478
N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114786832

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 82751429) is 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CCc1cccnc1CNc1cc(NC)nc(C(C)C)n1.
What is the InChIKey of 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is NBMAZJPSLLVGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-5-12-7-6-8-18-13(12)10-19-15-9-14(17-4)20-16(21-15)11(2)3/h6-9,11H,5,10H2,1-4H3,(H2,17,19,20,21).
What are the key properties of 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 82751429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).