2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine

C11H17N7 — CID 50962885

IUPAC2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(NCCc2nn[nH]n2)cc(C(C)C)n1
InChIInChI=1S/C11H17N7/c1-7(2)9-6-11(14-8(3)13-9)12-5-4-10-15-17-18-16-10/h6-7H,4-5H2,1-3H3,(H,12,13,14)(H,15,16,17,18)
InChIKeyDJNPSKBKGRLXCA-UHFFFAOYSA-N
MW247.31 g/mol
LogP1.08
Rot. Bonds5

About 2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine

2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 50962885) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID50962885
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(NCCc2nn[nH]n2)cc(C(C)C)n1
InChIInChI=1S/C11H17N7/c1-7(2)9-6-11(14-8(3)13-9)12-5-4-10-15-17-18-16-10/h6-7H,4-5H2,1-3H3,(H,12,13,14)(H,15,16,17,18)
InChIKeyDJNPSKBKGRLXCA-UHFFFAOYSA-N
XLogP1.08
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62191118
4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-6-propan-2-ylpyrimidine-2,4-diamine
CID 72882036
2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine
CID 50956790
2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine
CID 126426383
2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 94076556
2,6-di(propan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 133409185
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 110277770
2-N,4-N-bis(3-methylbutyl)-6-propan-2-ylpyrimidine-2,4-diamine
CID 71244270
4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine
CID 130561550
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485245
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 95122382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine (CID 50962885) is 2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine is Cc1nc(NCCc2nn[nH]n2)cc(C(C)C)n1.
What is the InChIKey of 2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is DJNPSKBKGRLXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-7(2)9-6-11(14-8(3)13-9)12-5-4-10-15-17-18-16-10/h6-7H,4-5H2,1-3H3,(H,12,13,14)(H,15,16,17,18).
What are the key properties of 2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 247.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 50962885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).