N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine

C14H18N4O — CID 66329796

IUPACN-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCc2ncccc2C)ncn1
InChIInChI=1S/C14H18N4O/c1-3-7-19-14-8-13(17-10-18-14)16-9-12-11(2)5-4-6-15-12/h4-6,8,10H,3,7,9H2,1-2H3,(H,16,17,18)
InChIKeyPUSAJPJBRLIVJZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.58
Rot. Bonds6

About N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine

N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine (PubChem CID 66329796) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine
PubChem CID66329796
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCc2ncccc2C)ncn1
InChIInChI=1S/C14H18N4O/c1-3-7-19-14-8-13(17-10-18-14)16-9-12-11(2)5-4-6-15-12/h4-6,8,10H,3,7,9H2,1-2H3,(H,16,17,18)
InChIKeyPUSAJPJBRLIVJZ-UHFFFAOYSA-N
XLogP2.58
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66327754
6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 115416985
N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 55204242
4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol
CID 114332543
N-[[3-(chloromethyl)phenyl]methyl]-6-propoxypyrimidin-4-amine
CID 66332407
N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 66329022
6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82453638
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine
CID 66328817
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine
CID 66329191
N-(2-chloro-2-phenylethyl)-6-propoxypyrimidin-4-amine
CID 66331181
4-N-[(3-methyl-2-pyridinyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63675740
N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
CID 66329980

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine (CID 66329796) is N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine is CCCOc1cc(NCc2ncccc2C)ncn1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine?
The InChIKey is PUSAJPJBRLIVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-7-19-14-8-13(17-10-18-14)16-9-12-11(2)5-4-6-15-12/h4-6,8,10H,3,7,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine?
N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66329796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).