N'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine

C12H21ClN4 — CID 105370054

IUPACN'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)c1ncncc1Cl
InChIInChI=1S/C12H21ClN4/c1-4-5-17(8-12(2,3)7-14)11-10(13)6-15-9-16-11/h6,9H,4-5,7-8,14H2,1-3H3
InChIKeyPRLGEQPMMFVCEQ-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.33
Rot. Bonds6

About N'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 105370054) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is N'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID105370054
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC NameN'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)c1ncncc1Cl
InChIInChI=1S/C12H21ClN4/c1-4-5-17(8-12(2,3)7-14)11-10(13)6-15-9-16-11/h6,9H,4-5,7-8,14H2,1-3H3
InChIKeyPRLGEQPMMFVCEQ-UHFFFAOYSA-N
XLogP2.33
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
CID 79662112
N'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79662113
2,2-dimethyl-N'-propyl-N'-pyrazin-2-ylpropane-1,3-diamine
CID 79662197
2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484369
2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile
CID 79662269
N'-(6-ethoxypyrazin-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661707
4-N-ethyl-4-N-propylpyrimidine-4,5-diamine
CID 79915949
5-(aminomethyl)-3-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62286524
2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine
CID 79662279
N'-(2,6-dichloro-4-nitrophenyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 106891844
N-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine
CID 105370030
N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine
CID 107207100

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 105370054) is N'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)c1ncncc1Cl.
What is the InChIKey of N'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is PRLGEQPMMFVCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-4-5-17(8-12(2,3)7-14)11-10(13)6-15-9-16-11/h6,9H,4-5,7-8,14H2,1-3H3.
What are the key properties of N'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 256.78 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 105370054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).