2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine

C20H29N5O — CID 112933992

IUPAC2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(NCCN2CCOCC2)cc(-c2ccccc2)n1
InChIInChI=1S/C20H29N5O/c1-3-16(2)22-20-23-18(17-7-5-4-6-8-17)15-19(24-20)21-9-10-25-11-13-26-14-12-25/h4-8,15-16H,3,9-14H2,1-2H3,(H2,21,22,23,24)
InChIKeyATFDEVAFTRKCDB-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.10
Rot. Bonds8

About 2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine

2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112933992) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112933992
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(NCCN2CCOCC2)cc(-c2ccccc2)n1
InChIInChI=1S/C20H29N5O/c1-3-16(2)22-20-23-18(17-7-5-4-6-8-17)15-19(24-20)21-9-10-25-11-13-26-14-12-25/h4-8,15-16H,3,9-14H2,1-2H3,(H2,21,22,23,24)
InChIKeyATFDEVAFTRKCDB-UHFFFAOYSA-N
XLogP3.10
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932516
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933250
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112934005
2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 124748999
2-N-butan-2-yl-4-N-[(3,4-dimethoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112934019
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913296
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112870421
6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 1254574
N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852426
5-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
CID 13218688

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine (CID 112933992) is 2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine is CCC(C)Nc1nc(NCCN2CCOCC2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is ATFDEVAFTRKCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-3-16(2)22-20-23-18(17-7-5-4-6-8-17)15-19(24-20)21-9-10-25-11-13-26-14-12-25/h4-8,15-16H,3,9-14H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine?
2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 355.49 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112933992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).