2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

C14H20ClN5 — CID 164552862

IUPAC2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCCN(CCc1cn[nH]c1)c1nc(Cl)nc(C)c1C
InChIInChI=1S/C14H20ClN5/c1-4-6-20(7-5-12-8-16-17-9-12)13-10(2)11(3)18-14(15)19-13/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyMJTHEWGGOXGBER-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.93
Rot. Bonds6

About 2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 164552862) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID164552862
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCCN(CCc1cn[nH]c1)c1nc(Cl)nc(C)c1C
InChIInChI=1S/C14H20ClN5/c1-4-6-20(7-5-12-8-16-17-9-12)13-10(2)11(3)18-14(15)19-13/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyMJTHEWGGOXGBER-UHFFFAOYSA-N
XLogP2.93
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
CID 56778066
4-N,4-N,6-trimethyl-2-N-[1-(4-methylpyrazol-1-yl)propan-2-yl]pyrimidine-2,4-diamine
CID 56778067
5-ethyl-N~4~-methyl-N~4~-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72899234
2-N,2-N,4-N,6-tetramethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 39782129
6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 39782311
N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 50952259
N~6~-isopropyl-N~4~-methyl-N~4~-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine
CID 50952687
N,2-dimethyl-6-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 50954395
6-methyl-4-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
CID 53612215
5-ethyl-N~4~-[(1-ethyl-1H-pyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine
CID 72856128
1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine
CID 72868243
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine
CID 86808957

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (CID 164552862) is 2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is CCCN(CCc1cn[nH]c1)c1nc(Cl)nc(C)c1C.
What is the InChIKey of 2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is MJTHEWGGOXGBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-4-6-20(7-5-12-8-16-17-9-12)13-10(2)11(3)18-14(15)19-13/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 293.80 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dimethyl-N-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 164552862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).