N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

C12H19ClN4 — CID 80953399

IUPACN-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C12H19ClN4/c1-17(2)7-3-6-14-11-8-10(13)15-12(16-11)9-4-5-9/h8-9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyNGNWBWHVMVVKCV-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.37
Rot. Bonds6

About N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 80953399) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID80953399
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC NameN-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C12H19ClN4/c1-17(2)7-3-6-14-11-8-10(13)15-12(16-11)9-4-5-9/h8-9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyNGNWBWHVMVVKCV-UHFFFAOYSA-N
XLogP2.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
CID 80966841
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
CID 106842916
N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456372
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 80950737
N-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953327
5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide
CID 114162665
tert-butyl N-[3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propyl]carbamate
CID 103880075
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 80953399) is N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is NGNWBWHVMVVKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-17(2)7-3-6-14-11-8-10(13)15-12(16-11)9-4-5-9/h8-9H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 254.76 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 80953399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).