1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol

C18H30N4O2 — CID 133462167

IUPAC1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol
SMILESCOCC(O)CN1CCC(Nc2nc(C)nc3c2CCCC3)CC1
InChIInChI=1S/C18H30N4O2/c1-13-19-17-6-4-3-5-16(17)18(20-13)21-14-7-9-22(10-8-14)11-15(23)12-24-2/h14-15,23H,3-12H2,1-2H3,(H,19,20,21)
InChIKeyRCWXGUNWJPMHFB-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.55
Rot. Bonds6

About 1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol

1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol (PubChem CID 133462167) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol
PubChem CID133462167
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol
SMILESCOCC(O)CN1CCC(Nc2nc(C)nc3c2CCCC3)CC1
InChIInChI=1S/C18H30N4O2/c1-13-19-17-6-4-3-5-16(17)18(20-13)21-14-7-9-22(10-8-14)11-15(23)12-24-2/h14-15,23H,3-12H2,1-2H3,(H,19,20,21)
InChIKeyRCWXGUNWJPMHFB-UHFFFAOYSA-N
XLogP1.55
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 135271014
4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
CID 135271039
6-ethyl-2-morpholin-4-yl-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 97515345
2-morpholin-4-yl-N-propan-2-yl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 97515346
2-[2-[[5-Hexyl-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 5276804
2-[2-[[5-Hexyl-6-methyl-2-(octylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 5276805
1-methoxy-3-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)propan-2-ol
CID 56902515
(2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide
CID 164636600
2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 171358995
4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 171359243
(3R*,4R*)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol
CID 70747612
1,1,1-Trifluoro-3-[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propan-2-ol
CID 133462370

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol (CID 133462167) is 1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol is COCC(O)CN1CCC(Nc2nc(C)nc3c2CCCC3)CC1.
What is the InChIKey of 1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol?
The InChIKey is RCWXGUNWJPMHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13-19-17-6-4-3-5-16(17)18(20-13)21-14-7-9-22(10-8-14)11-15(23)12-24-2/h14-15,23H,3-12H2,1-2H3,(H,19,20,21).
What are the key properties of 1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol?
1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol has a molecular weight of 334.46 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 133462167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).