2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine

C15H24N6 — CID 82874404

IUPAC2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(NCc2ccn(C)n2)c1C
InChIInChI=1S/C15H24N6/c1-10-12(16-5)18-14(15(2,3)4)19-13(10)17-9-11-7-8-21(6)20-11/h7-8H,9H2,1-6H3,(H2,16,17,18,19)
InChIKeyNRWLUEVESKUGNU-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.47
Rot. Bonds4

About 2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine

2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 82874404) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID82874404
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(NCc2ccn(C)n2)c1C
InChIInChI=1S/C15H24N6/c1-10-12(16-5)18-14(15(2,3)4)19-13(10)17-9-11-7-8-21(6)20-11/h7-8H,9H2,1-6H3,(H2,16,17,18,19)
InChIKeyNRWLUEVESKUGNU-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106808
6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 82873932
6-hydrazinyl-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 82874497
6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874582
2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82874800
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980628
2-tert-butyl-6-N,5-dimethyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80984832
2-tert-butyl-6-N,5-dimethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80992792
5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 82875453
6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
CID 82873619
4,6-dimethyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbothioamide
CID 82873632
3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 102751690

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine (CID 82874404) is 2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine is CNc1nc(C(C)(C)C)nc(NCc2ccn(C)n2)c1C.
What is the InChIKey of 2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is NRWLUEVESKUGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-10-12(16-5)18-14(15(2,3)4)19-13(10)17-9-11-7-8-21(6)20-11/h7-8H,9H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.47, 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,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 82874404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).