2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine

C15H24N6 — CID 80992025

IUPAC2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)(C)C)nc(Nc2cnn(C)c2)c1C
InChIInChI=1S/C15H24N6/c1-7-16-12-10(2)13(18-11-8-17-21(6)9-11)20-14(19-12)15(3,4)5/h8-9H,7H2,1-6H3,(H2,16,18,19,20)
InChIKeyOKCAVXXKMKXWTF-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.99
Rot. Bonds4

About 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine

2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine (PubChem CID 80992025) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine
PubChem CID80992025
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)(C)C)nc(Nc2cnn(C)c2)c1C
InChIInChI=1S/C15H24N6/c1-7-16-12-10(2)13(18-11-8-17-21(6)9-11)20-14(19-12)15(3,4)5/h8-9H,7H2,1-6H3,(H2,16,18,19,20)
InChIKeyOKCAVXXKMKXWTF-UHFFFAOYSA-N
XLogP2.99
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-N-(1-methylpyrazol-4-yl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80991736
2-ethyl-6-N,5-dimethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine
CID 80992962
6-hydrazinyl-5-methyl-N-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 81006835
2-cyclopropyl-5-methyl-4-N-(1-methylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80992491
2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 114785632
2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 80974722
N-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80975348
6-N-ethyl-4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80761163
4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 151837932
2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80989029
2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 79779087
4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 107328677

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine (CID 80992025) is 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine is CCNc1nc(C(C)(C)C)nc(Nc2cnn(C)c2)c1C.
What is the InChIKey of 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine?
The InChIKey is OKCAVXXKMKXWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-7-16-12-10(2)13(18-11-8-17-21(6)9-11)20-14(19-12)15(3,4)5/h8-9H,7H2,1-6H3,(H2,16,18,19,20).
What are the key properties of 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine?
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80992025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).