4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

C13H21N5O — CID 112882231

IUPAC4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESc1cc(NC2CC2)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C13H21N5O/c1-2-11(1)16-12-3-4-14-13(17-12)15-5-6-18-7-9-19-10-8-18/h3-4,11H,1-2,5-10H2,(H2,14,15,16,17)
InChIKeyQXYNKLCEXBUPLQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.80
Rot. Bonds6

About 4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112882231) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112882231
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESc1cc(NC2CC2)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C13H21N5O/c1-2-11(1)16-12-3-4-14-13(17-12)15-5-6-18-7-9-19-10-8-18/h3-4,11H,1-2,5-10H2,(H2,14,15,16,17)
InChIKeyQXYNKLCEXBUPLQ-UHFFFAOYSA-N
XLogP0.80
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
5-N-cycloheptyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945300
4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882667
4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine
CID 117093770
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
2-N-(2-aminoethyl)-4-N-cyclopropylpyrimidine-2,4-diamine
CID 121204907
4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887559
4-methoxy-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112683355
4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887567
4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887514
4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887526
2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80807066

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 112882231) is 4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is c1cc(NC2CC2)nc(NCCN2CCOCC2)n1.
What is the InChIKey of 4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is QXYNKLCEXBUPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-11(1)16-12-3-4-14-13(17-12)15-5-6-18-7-9-19-10-8-18/h3-4,11H,1-2,5-10H2,(H2,14,15,16,17).
What are the key properties of 4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 263.34 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112882231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).