4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine

C14H19N5 — CID 80821682

IUPAC4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCc2cccc(C)n2)ncn1
InChIInChI=1S/C14H19N5/c1-3-7-15-13-8-14(18-10-17-13)16-9-12-6-4-5-11(2)19-12/h4-6,8,10H,3,7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyVMWVKAXIXDYYME-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds6

About 4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine

4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80821682) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80821682
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCc2cccc(C)n2)ncn1
InChIInChI=1S/C14H19N5/c1-3-7-15-13-8-14(18-10-17-13)16-9-12-6-4-5-11(2)19-12/h4-6,8,10H,3,7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyVMWVKAXIXDYYME-UHFFFAOYSA-N
XLogP2.61
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80822100
6-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 55057435
5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80822689
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163
2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
CID 62307193
6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80821940
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 62482411
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 106378764
2-methylsulfanyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778062
6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63961124
5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridazin-3-amine
CID 106549703
4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755281

Frequently Asked Questions

What is the IUPAC name of 4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 80821682) is 4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCc2cccc(C)n2)ncn1.
What is the InChIKey of 4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is VMWVKAXIXDYYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-7-15-13-8-14(18-10-17-13)16-9-12-6-4-5-11(2)19-12/h4-6,8,10H,3,7,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80821682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).