4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine

C15H25N5O2 — CID 126423060

IUPAC4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESNc1nc(NCCCN2CCOCC2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C15H25N5O2/c16-15-18-13(12-2-7-22-11-12)10-14(19-15)17-3-1-4-20-5-8-21-9-6-20/h10,12H,1-9,11H2,(H3,16,17,18,19)/t12-/m0/s1
InChIKeySQFGWJMFGNOEFQ-LBPRGKRZSA-N
MW307.40 g/mol
LogP0.70
Rot. Bonds6

About 4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine

4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 126423060) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID126423060
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESNc1nc(NCCCN2CCOCC2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C15H25N5O2/c16-15-18-13(12-2-7-22-11-12)10-14(19-15)17-3-1-4-20-5-8-21-9-6-20/h10,12H,1-9,11H2,(H3,16,17,18,19)/t12-/m0/s1
InChIKeySQFGWJMFGNOEFQ-LBPRGKRZSA-N
XLogP0.70
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(3-aminocyclobutyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 91792566
2-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 119070768
4-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126446856
6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 126444749
1-[4-[(3S)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylbutylamino)pyrimidin-2-yl]azetidin-3-ol
CID 126438720
4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 118771530
4-N-cyclopropyl-6-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine
CID 117093770
4-[[[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 126449866
4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 119061126
4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 119072706
4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439514
4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439515

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine (CID 126423060) is 4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine is Nc1nc(NCCCN2CCOCC2)cc([C@H]2CCOC2)n1.
What is the InChIKey of 4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is SQFGWJMFGNOEFQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N5O2/c16-15-18-13(12-2-7-22-11-12)10-14(19-15)17-3-1-4-20-5-8-21-9-6-20/h10,12H,1-9,11H2,(H3,16,17,18,19)/t12-/m0/s1.
What are the key properties of 4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 307.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126423060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).