4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine

C20H27N5O — CID 121496507

IUPAC4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
SMILESCC1(C)CN(c2cc(N3CCOCC3)nc(N)n2)CC1c1ccccc1
InChIInChI=1S/C20H27N5O/c1-20(2)14-25(13-16(20)15-6-4-3-5-7-15)18-12-17(22-19(21)23-18)24-8-10-26-11-9-24/h3-7,12,16H,8-11,13-14H2,1-2H3,(H2,21,22,23)
InChIKeyCGYPVDZQQGQZCO-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.53
Rot. Bonds3

About 4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine

4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 121496507) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID121496507
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
SMILESCC1(C)CN(c2cc(N3CCOCC3)nc(N)n2)CC1c1ccccc1
InChIInChI=1S/C20H27N5O/c1-20(2)14-25(13-16(20)15-6-4-3-5-7-15)18-12-17(22-19(21)23-18)24-8-10-26-11-9-24/h3-7,12,16H,8-11,13-14H2,1-2H3,(H2,21,22,23)
InChIKeyCGYPVDZQQGQZCO-UHFFFAOYSA-N
XLogP2.53
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 126451229
4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine
CID 97143928
4-N-methyl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 80767642
4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 117085878
4-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
CID 133123239
(3S,4S)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 72914892
4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 154838178
6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine
CID 11380197
4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine
CID 143641707
2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide
CID 126423906
2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-methylpyridine-4-carboxamide
CID 126423907
4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine
CID 97202620

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine (CID 121496507) is 4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine is CC1(C)CN(c2cc(N3CCOCC3)nc(N)n2)CC1c1ccccc1.
What is the InChIKey of 4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is CGYPVDZQQGQZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-20(2)14-25(13-16(20)15-6-4-3-5-7-15)18-12-17(22-19(21)23-18)24-8-10-26-11-9-24/h3-7,12,16H,8-11,13-14H2,1-2H3,(H2,21,22,23).
What are the key properties of 4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine?
4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 353.47 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 121496507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).