N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine

C12H19N3O2 — CID 43552114

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine
SMILESCOc1ncnc(OC)c1CNC1CCCC1
InChIInChI=1S/C12H19N3O2/c1-16-11-10(12(17-2)15-8-14-11)7-13-9-5-3-4-6-9/h8-9,13H,3-7H2,1-2H3
InChIKeyCOLUUTVYNCBWNW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.53
Rot. Bonds5

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine (PubChem CID 43552114) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine
PubChem CID43552114
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine
SMILESCOc1ncnc(OC)c1CNC1CCCC1
InChIInChI=1S/C12H19N3O2/c1-16-11-10(12(17-2)15-8-14-11)7-13-9-5-3-4-6-9/h8-9,13H,3-7H2,1-2H3
InChIKeyCOLUUTVYNCBWNW-UHFFFAOYSA-N
XLogP1.53
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 2817978
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CID 43552092
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CID 95788206
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CID 43552097
CID 43552097
CID 63225939
CID 63225939
CID 63826413
CID 63826413
CID 105905367
CID 105905367
CID 105931953
CID 105931953
CID 105940347
CID 105940347
CID 106210003
CID 106210003
CID 106289263
CID 106289263
CID 113327811
CID 113327811

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine (CID 43552114) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine is COc1ncnc(OC)c1CNC1CCCC1.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine?
The InChIKey is COLUUTVYNCBWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-16-11-10(12(17-2)15-8-14-11)7-13-9-5-3-4-6-9/h8-9,13H,3-7H2,1-2H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine has a molecular weight of 237.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclopentanamine is sourced from PubChem (CID 43552114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).