N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine

C16H25N5 — CID 80977825

IUPACN-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(-c2cnn(CCC)c2)n1
InChIInChI=1S/C16H25N5/c1-5-8-14-19-15(12(4)16(20-14)17-7-3)13-10-18-21(11-13)9-6-2/h10-11H,5-9H2,1-4H3,(H,17,19,20)
InChIKeyMTLQFYPNKWRCBL-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.44
Rot. Bonds7

About N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine

N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 80977825) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID80977825
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(-c2cnn(CCC)c2)n1
InChIInChI=1S/C16H25N5/c1-5-8-14-19-15(12(4)16(20-14)17-7-3)13-10-18-21(11-13)9-6-2/h10-11H,5-9H2,1-4H3,(H,17,19,20)
InChIKeyMTLQFYPNKWRCBL-UHFFFAOYSA-N
XLogP3.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80975348
N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977824
2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977826
N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573026
6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80974794
N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573036
N-ethyl-6-(1-ethylimidazol-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80976649
2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
CID 145062525
2-ethyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 80975159
4-chloro-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidine
CID 80975700
6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80969852
6-(4-fluorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80977523

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine (CID 80977825) is N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine is CCCc1nc(NCC)c(C)c(-c2cnn(CCC)c2)n1.
What is the InChIKey of N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is MTLQFYPNKWRCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-5-8-14-19-15(12(4)16(20-14)17-7-3)13-10-18-21(11-13)9-6-2/h10-11H,5-9H2,1-4H3,(H,17,19,20).
What are the key properties of N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80977825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).