N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine

C13H21N3O3 — CID 62086943

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine
SMILESCOc1ncnc(OC)c1CNC1CCCC1OC
InChIInChI=1S/C13H21N3O3/c1-17-11-6-4-5-10(11)14-7-9-12(18-2)15-8-16-13(9)19-3/h8,10-11,14H,4-7H2,1-3H3
InChIKeyLMNLNECNJRGMCI-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.15
Rot. Bonds6

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine (PubChem CID 62086943) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine
PubChem CID62086943
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine
SMILESCOc1ncnc(OC)c1CNC1CCCC1OC
InChIInChI=1S/C13H21N3O3/c1-17-11-6-4-5-10(11)14-7-9-12(18-2)15-8-16-13(9)19-3/h8,10-11,14H,4-7H2,1-3H3
InChIKeyLMNLNECNJRGMCI-UHFFFAOYSA-N
XLogP1.15
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine (CID 62086943) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine is COc1ncnc(OC)c1CNC1CCCC1OC.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine?
The InChIKey is LMNLNECNJRGMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-17-11-6-4-5-10(11)14-7-9-12(18-2)15-8-16-13(9)19-3/h8,10-11,14H,4-7H2,1-3H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine is sourced from PubChem (CID 62086943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).