6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine

C16H28N6O — CID 95144373

IUPAC6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine
SMILESCCCN1CCC[C@H](Nc2cc(N3CCOCC3)nc(N)n2)C1
InChIInChI=1S/C16H28N6O/c1-2-5-21-6-3-4-13(12-21)18-14-11-15(20-16(17)19-14)22-7-9-23-10-8-22/h11,13H,2-10,12H2,1H3,(H3,17,18,19,20)/t13-/m0/s1
InChIKeyHJZGPKZUMZIYJN-ZDUSSCGKSA-N
MW320.44 g/mol
LogP1.18
Rot. Bonds5

About 6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine

6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 95144373) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine
PubChem CID95144373
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Name6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine
SMILESCCCN1CCC[C@H](Nc2cc(N3CCOCC3)nc(N)n2)C1
InChIInChI=1S/C16H28N6O/c1-2-5-21-6-3-4-13(12-21)18-14-11-15(20-16(17)19-14)22-7-9-23-10-8-22/h11,13H,2-10,12H2,1H3,(H3,17,18,19,20)/t13-/m0/s1
InChIKeyHJZGPKZUMZIYJN-ZDUSSCGKSA-N
XLogP1.18
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 117085878
[(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 95119604
4-N-methyl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 80767642
4-N-(1-ethylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564466
3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide
CID 50982599
[2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium
CID 123635147
4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 80829114
4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine
CID 117093770
2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 167774541
6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 68551068
4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 122491269
N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880530

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine (CID 95144373) is 6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine is CCCN1CCC[C@H](Nc2cc(N3CCOCC3)nc(N)n2)C1.
What is the InChIKey of 6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is HJZGPKZUMZIYJN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H28N6O/c1-2-5-21-6-3-4-13(12-21)18-14-11-15(20-16(17)19-14)22-7-9-23-10-8-22/h11,13H,2-10,12H2,1H3,(H3,17,18,19,20)/t13-/m0/s1.
What are the key properties of 6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine?
6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 320.44 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 95144373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).