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

C14H23ClN4 — CID 80950737

IUPACN-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C14H23ClN4/c1-14(2,9-19(3)4)8-16-12-7-11(15)17-13(18-12)10-5-6-10/h7,10H,5-6,8-9H2,1-4H3,(H,16,17,18)
InChIKeyNSSOIYTVYVRVIF-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.01
Rot. Bonds6

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

N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 80950737) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID80950737
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC NameN-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C14H23ClN4/c1-14(2,9-19(3)4)8-16-12-7-11(15)17-13(18-12)10-5-6-10/h7,10H,5-6,8-9H2,1-4H3,(H,16,17,18)
InChIKeyNSSOIYTVYVRVIF-UHFFFAOYSA-N
XLogP3.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 80949365
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399
6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80951605
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632
6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 104952861
6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 80950847
2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine
CID 80981871
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(3-chlorophenyl)propan-2-ol
CID 133473167
N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide
CID 113293276
6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine
CID 133421904
6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine
CID 80951077

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (CID 80950737) is N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is NSSOIYTVYVRVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-14(2,9-19(3)4)8-16-12-7-11(15)17-13(18-12)10-5-6-10/h7,10H,5-6,8-9H2,1-4H3,(H,16,17,18).
What are the key properties of N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 282.82 g/mol, XLogP of 3.01, 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',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 80950737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).