6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine

C15H20ClN7 — CID 133464605

IUPAC6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine
SMILESCNc1c(Cl)ncnc1N(C)CC1CCCN1c1cccnn1
InChIInChI=1S/C15H20ClN7/c1-17-13-14(16)18-10-19-15(13)22(2)9-11-5-4-8-23(11)12-6-3-7-20-21-12/h3,6-7,10-11,17H,4-5,8-9H2,1-2H3
InChIKeyOPMGBKVXOJEJOW-UHFFFAOYSA-N
MW333.83 g/mol
LogP2.07
Rot. Bonds5

About 6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine

6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine (PubChem CID 133464605) has the molecular formula C15H20ClN7 and a molecular weight of 333.83 g/mol. Its IUPAC name is 6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine
PubChem CID133464605
Molecular FormulaC15H20ClN7
Molecular Weight333.83 g/mol
Exact Mass333.15
IUPAC Name6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine
SMILESCNc1c(Cl)ncnc1N(C)CC1CCCN1c1cccnn1
InChIInChI=1S/C15H20ClN7/c1-17-13-14(16)18-10-19-15(13)22(2)9-11-5-4-8-23(11)12-6-3-7-20-21-12/h3,6-7,10-11,17H,4-5,8-9H2,1-2H3
InChIKeyOPMGBKVXOJEJOW-UHFFFAOYSA-N
XLogP2.07
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.83
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 86902703
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 133281245
3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 133281244
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 133281201
N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 95599819
N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 95338210
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778280
3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
CID 80668055
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine
CID 57034400
N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 86902705
6,7-diethoxy-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]quinolin-4-amine
CID 86941097

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine (CID 133464605) is 6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine is CNc1c(Cl)ncnc1N(C)CC1CCCN1c1cccnn1.
What is the InChIKey of 6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine?
The InChIKey is OPMGBKVXOJEJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN7/c1-17-13-14(16)18-10-19-15(13)22(2)9-11-5-4-8-23(11)12-6-3-7-20-21-12/h3,6-7,10-11,17H,4-5,8-9H2,1-2H3.
What are the key properties of 6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine?
6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine has a molecular weight of 333.83 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 133464605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).