4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine

C15H25N5O — CID 19137769

IUPAC4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine
SMILESNc1c(NC2CCCCCC2)ncnc1N1CCOCC1
InChIInChI=1S/C15H25N5O/c16-13-14(19-12-5-3-1-2-4-6-12)17-11-18-15(13)20-7-9-21-10-8-20/h11-12H,1-10,16H2,(H,17,18,19)
InChIKeyGBXWCIRPZRFQLA-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.03
Rot. Bonds3

About 4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine

4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine (PubChem CID 19137769) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine
PubChem CID19137769
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine
SMILESNc1c(NC2CCCCCC2)ncnc1N1CCOCC1
InChIInChI=1S/C15H25N5O/c16-13-14(19-12-5-3-1-2-4-6-12)17-11-18-15(13)20-7-9-21-10-8-20/h11-12H,1-10,16H2,(H,17,18,19)
InChIKeyGBXWCIRPZRFQLA-UHFFFAOYSA-N
XLogP2.03
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23487672
4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 19137612
5-amino-4-(cyclopentylamino)-6-morpholin-4-ylpyrimidine-2-carbonitrile
CID 44565778
6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine
CID 19139366
4-(2-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
CID 19137626
4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22540380
ethyl 1-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142332
6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135719
4-hydrazinyl-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137338
4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137648
4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137671

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine (CID 19137769) is 4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine is Nc1c(NC2CCCCCC2)ncnc1N1CCOCC1.
What is the InChIKey of 4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine?
The InChIKey is GBXWCIRPZRFQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c16-13-14(19-12-5-3-1-2-4-6-12)17-11-18-15(13)20-7-9-21-10-8-20/h11-12H,1-10,16H2,(H,17,18,19).
What are the key properties of 4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine?
4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine has a molecular weight of 291.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19137769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).