6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine

C15H27N5O2 — CID 19141697

IUPAC6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
SMILESCOCCN(CCOC)c1ncnc(NC2CCCC2)c1N
InChIInChI=1S/C15H27N5O2/c1-21-9-7-20(8-10-22-2)15-13(16)14(17-11-18-15)19-12-5-3-4-6-12/h11-12H,3-10,16H2,1-2H3,(H,17,18,19)
InChIKeyRNSDRCRXPVDNMD-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.51
Rot. Bonds9

About 6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine

6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine (PubChem CID 19141697) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
PubChem CID19141697
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
SMILESCOCCN(CCOC)c1ncnc(NC2CCCC2)c1N
InChIInChI=1S/C15H27N5O2/c1-21-9-7-20(8-10-22-2)15-13(16)14(17-11-18-15)19-12-5-3-4-6-12/h11-12H,3-10,16H2,1-2H3,(H,17,18,19)
InChIKeyRNSDRCRXPVDNMD-UHFFFAOYSA-N
XLogP1.51
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-cyclohexyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19135778
4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19135849
3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141537
6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141056
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
4-N,4-N-bis(2-methoxyethyl)-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19141684
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141579
6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141696
4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19141594
N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 19141681
3-[[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141479
4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80795868

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine (CID 19141697) is 6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine is COCCN(CCOC)c1ncnc(NC2CCCC2)c1N.
What is the InChIKey of 6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
The InChIKey is RNSDRCRXPVDNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-21-9-7-20(8-10-22-2)15-13(16)14(17-11-18-15)19-12-5-3-4-6-12/h11-12H,3-10,16H2,1-2H3,(H,17,18,19).
What are the key properties of 6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine?
6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine has a molecular weight of 309.41 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19141697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).