2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine

C12H20N4O — CID 112884308

IUPAC2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1ccnc(NC2CCCC2)n1
InChIInChI=1S/C12H20N4O/c1-17-9-8-13-11-6-7-14-12(16-11)15-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H2,13,14,15,16)
InChIKeyDUGHPTYHOWUHTI-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.89
Rot. Bonds6

About 2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine

2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (PubChem CID 112884308) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
PubChem CID112884308
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1ccnc(NC2CCCC2)n1
InChIInChI=1S/C12H20N4O/c1-17-9-8-13-11-6-7-14-12(16-11)15-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H2,13,14,15,16)
InChIKeyDUGHPTYHOWUHTI-UHFFFAOYSA-N
XLogP1.89
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112884339
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
3-N-cyclohexyl-5-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112942374
4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882662
2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112882404
2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112884954
2-N-(2-methoxyethyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112885846
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112885911
4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine
CID 112884937
2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109295527
N-cycloheptyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299667

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (CID 112884308) is 2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is COCCNc1ccnc(NC2CCCC2)n1.
What is the InChIKey of 2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is DUGHPTYHOWUHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-17-9-8-13-11-6-7-14-12(16-11)15-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112884308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).