4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine

C21H31N5O — CID 146237700

IUPAC4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine
SMILESCC1(C)CN(C2CCC(CNc3ncnc4ccc(N)cc34)CC2)CCO1
InChIInChI=1S/C21H31N5O/c1-21(2)13-26(9-10-27-21)17-6-3-15(4-7-17)12-23-20-18-11-16(22)5-8-19(18)24-14-25-20/h5,8,11,14-15,17H,3-4,6-7,9-10,12-13,22H2,1-2H3,(H,23,24,25)
InChIKeySDBDVSUVXHZIEG-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.29
Rot. Bonds4

About 4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine

4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine (PubChem CID 146237700) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine
PubChem CID146237700
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine
SMILESCC1(C)CN(C2CCC(CNc3ncnc4ccc(N)cc34)CC2)CCO1
InChIInChI=1S/C21H31N5O/c1-21(2)13-26(9-10-27-21)17-6-3-15(4-7-17)12-23-20-18-11-16(22)5-8-19(18)24-14-25-20/h5,8,11,14-15,17H,3-4,6-7,9-10,12-13,22H2,1-2H3,(H,23,24,25)
InChIKeySDBDVSUVXHZIEG-UHFFFAOYSA-N
XLogP3.29
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine (CID 146237700) is 4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine is CC1(C)CN(C2CCC(CNc3ncnc4ccc(N)cc34)CC2)CCO1.
What is the InChIKey of 4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine?
The InChIKey is SDBDVSUVXHZIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-21(2)13-26(9-10-27-21)17-6-3-15(4-7-17)12-23-20-18-11-16(22)5-8-19(18)24-14-25-20/h5,8,11,14-15,17H,3-4,6-7,9-10,12-13,22H2,1-2H3,(H,23,24,25).
What are the key properties of 4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine?
4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine has a molecular weight of 369.51 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine is sourced from PubChem (CID 146237700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).