1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol

C12H20ClN5O2 — CID 62863261

IUPAC1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C12H20ClN5O2/c1-17(7-9(19)8-20-2)11-14-10(13)15-12(16-11)18-5-3-4-6-18/h9,19H,3-8H2,1-2H3
InChIKeyMBPNTSNUCGEAJO-UHFFFAOYSA-N
MW301.78 g/mol
LogP0.57
Rot. Bonds6

About 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol

1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 62863261) has the molecular formula C12H20ClN5O2 and a molecular weight of 301.78 g/mol. Its IUPAC name is 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol
PubChem CID62863261
Molecular FormulaC12H20ClN5O2
Molecular Weight301.78 g/mol
Exact Mass301.13
IUPAC Name1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C12H20ClN5O2/c1-17(7-9(19)8-20-2)11-14-10(13)15-12(16-11)18-5-3-4-6-18/h9,19H,3-8H2,1-2H3
InChIKeyMBPNTSNUCGEAJO-UHFFFAOYSA-N
XLogP0.57
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol
CID 55124109
4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62864587
4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
4-chloro-N-(cyclobutylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62865237
N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869660
4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62868341
(2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 100648038
4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784659
4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 63690083
1-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80835362
1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80912177
1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80800829

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol (CID 62863261) is 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is MBPNTSNUCGEAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O2/c1-17(7-9(19)8-20-2)11-14-10(13)15-12(16-11)18-5-3-4-6-18/h9,19H,3-8H2,1-2H3.
What are the key properties of 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol?
1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 301.78 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62863261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).