2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

C14H20ClN5 — CID 106214361

IUPAC2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NC(C)c1cn[nH]c1
InChIInChI=1S/C14H20ClN5/c1-8-11(15)19-13(14(3,4)5)20-12(8)18-9(2)10-6-16-17-7-10/h6-7,9H,1-5H3,(H,16,17)(H,18,19,20)
InChIKeyVIGZLQHKYJGIER-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.63
Rot. Bonds3

About 2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 106214361) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID106214361
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NC(C)c1cn[nH]c1
InChIInChI=1S/C14H20ClN5/c1-8-11(15)19-13(14(3,4)5)20-12(8)18-9(2)10-6-16-17-7-10/h6-7,9H,1-5H3,(H,16,17)(H,18,19,20)
InChIKeyVIGZLQHKYJGIER-UHFFFAOYSA-N
XLogP3.63
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-chloro-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 114156509
2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine
CID 80978132
2-tert-butyl-6-chloro-5-methyl-N-pent-4-en-2-ylpyrimidin-4-amine
CID 114156798
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 63729135
6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979435
3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine
CID 106215673
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106214197
6-chloro-2-N,2-N-dimethyl-4-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106214411
6-chloro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80978917
2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine
CID 80974542
6-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,6-diamine
CID 106215688
2-chloro-6-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106214406

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (CID 106214361) is 2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is Cc1c(Cl)nc(C(C)(C)C)nc1NC(C)c1cn[nH]c1.
What is the InChIKey of 2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is VIGZLQHKYJGIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-8-11(15)19-13(14(3,4)5)20-12(8)18-9(2)10-6-16-17-7-10/h6-7,9H,1-5H3,(H,16,17)(H,18,19,20).
What are the key properties of 2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 293.80 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106214361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).