4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine

C8H11N7O — CID 112637352

IUPAC4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine
SMILESCOc1ccnc(NC(C)c2nn[nH]n2)n1
InChIInChI=1S/C8H11N7O/c1-5(7-12-14-15-13-7)10-8-9-4-3-6(11-8)16-2/h3-5H,1-2H3,(H,9,10,11)(H,12,13,14,15)
InChIKeyHWAYBAOINUZQSN-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.17
Rot. Bonds4

About 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine

4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine (PubChem CID 112637352) has the molecular formula C8H11N7O and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine
PubChem CID112637352
Molecular FormulaC8H11N7O
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine
SMILESCOc1ccnc(NC(C)c2nn[nH]n2)n1
InChIInChI=1S/C8H11N7O/c1-5(7-12-14-15-13-7)10-8-9-4-3-6(11-8)16-2/h3-5H,1-2H3,(H,9,10,11)(H,12,13,14,15)
InChIKeyHWAYBAOINUZQSN-UHFFFAOYSA-N
XLogP0.17
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 64584120
4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine
CID 26006023
4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 26436569
4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 112685187
4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 112688333
methyl 4-[1-(2H-tetrazol-5-yl)ethylamino]pyridine-2-carboxylate
CID 66287461
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 26436660
N-(1-chlorobutan-2-yl)-4-methoxypyrimidin-2-amine
CID 65030298
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide
CID 130219531
6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine
CID 106194451

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine (CID 112637352) is 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine is COc1ccnc(NC(C)c2nn[nH]n2)n1.
What is the InChIKey of 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine?
The InChIKey is HWAYBAOINUZQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O/c1-5(7-12-14-15-13-7)10-8-9-4-3-6(11-8)16-2/h3-5H,1-2H3,(H,9,10,11)(H,12,13,14,15).
What are the key properties of 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine?
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine has a molecular weight of 221.22 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 112637352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).