2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol

C15H25N3O2 — CID 133472784

IUPAC2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol
SMILESCc1nc2c(c(N(C)CC(C)(CO)CO)n1)CCCC2
InChIInChI=1S/C15H25N3O2/c1-11-16-13-7-5-4-6-12(13)14(17-11)18(3)8-15(2,9-19)10-20/h19-20H,4-10H2,1-3H3
InChIKeyKOXISBOTSGWFII-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.09
Rot. Bonds5

About 2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol

2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol (PubChem CID 133472784) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol
PubChem CID133472784
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol
SMILESCc1nc2c(c(N(C)CC(C)(CO)CO)n1)CCCC2
InChIInChI=1S/C15H25N3O2/c1-11-16-13-7-5-4-6-12(13)14(17-11)18(3)8-15(2,9-19)10-20/h19-20H,4-10H2,1-3H3
InChIKeyKOXISBOTSGWFII-UHFFFAOYSA-N
XLogP1.09
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol with MolForge

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Related Compounds

N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472393
N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide
CID 157030208
2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol
CID 133462148
2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol
CID 133461051
N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide
CID 157029358
2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine
CID 123799232
N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56902769
N-(4-hydroxysulfanylphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 122633281
2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide
CID 133472820
N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 73293920
N,2-dimethyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145261
4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol (CID 133472784) is 2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol is Cc1nc2c(c(N(C)CC(C)(CO)CO)n1)CCCC2.
What is the InChIKey of 2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol?
The InChIKey is KOXISBOTSGWFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-16-13-7-5-4-6-12(13)14(17-11)18(3)8-15(2,9-19)10-20/h19-20H,4-10H2,1-3H3.
What are the key properties of 2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol?
2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol has a molecular weight of 279.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol is sourced from PubChem (CID 133472784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).