4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine

C12H20N4O — CID 113401294

IUPAC4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine
SMILESCCOCc1nc(N)cc(NC2CCCC2)n1
InChIInChI=1S/C12H20N4O/c1-2-17-8-12-15-10(13)7-11(16-12)14-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H3,13,14,15,16)
InChIKeyDQRWZPSLQBBMCN-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.95
Rot. Bonds5

About 4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine

4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine (PubChem CID 113401294) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine
PubChem CID113401294
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine
SMILESCCOCc1nc(N)cc(NC2CCCC2)n1
InChIInChI=1S/C12H20N4O/c1-2-17-8-12-15-10(13)7-11(16-12)14-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H3,13,14,15,16)
InChIKeyDQRWZPSLQBBMCN-UHFFFAOYSA-N
XLogP1.95
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400811
4-N-cyclobutyl-2-ethylpyrimidine-4,6-diamine
CID 80934753
4-N-cyclopropyl-2-propylpyrimidine-4,6-diamine
CID 80945616
2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 106029091
2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 114174651
4-N-cyclooctyl-2-methylpyrimidine-4,6-diamine
CID 80786651
2-(ethoxymethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219460
6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
CID 82463145
6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine
CID 106207534
4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956154
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80934405
2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 113401566

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine (CID 113401294) is 4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine is CCOCc1nc(N)cc(NC2CCCC2)n1.
What is the InChIKey of 4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine?
The InChIKey is DQRWZPSLQBBMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-17-8-12-15-10(13)7-11(16-12)14-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine?
4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 113401294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).