4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C12H18ClN5 — CID 62864587

IUPAC4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCN(CC1CC1)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C12H18ClN5/c1-17(8-9-4-5-9)11-14-10(13)15-12(16-11)18-6-2-3-7-18/h9H,2-8H2,1H3
InChIKeyOBQUHONLDBOGHO-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.97
Rot. Bonds4

About 4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 62864587) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID62864587
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCN(CC1CC1)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C12H18ClN5/c1-17(8-9-4-5-9)11-14-10(13)15-12(16-11)18-6-2-3-7-18/h9H,2-8H2,1H3
InChIKeyOBQUHONLDBOGHO-UHFFFAOYSA-N
XLogP1.97
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(cyclobutylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62865237
N-(cyclopropylmethyl)-4-hydrazinyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80899275
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol
CID 55124109
4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819926
N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869660
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 63861000
4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62868341
3-[[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80833137
1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol
CID 62863261
6-chloro-4-N-(cyclobutylmethyl)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 55125565
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
CID 102865870

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 62864587) is 4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CN(CC1CC1)c1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is OBQUHONLDBOGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5/c1-17(8-9-4-5-9)11-14-10(13)15-12(16-11)18-6-2-3-7-18/h9H,2-8H2,1H3.
What are the key properties of 4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 267.76 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).