4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine

C17H25N7O — CID 30877050

IUPAC4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCC(n3cc(CN4CCCC4)nn3)CC2)n1
InChIInChI=1S/C17H25N7O/c1-25-16-4-7-18-17(19-16)23-10-5-15(6-11-23)24-13-14(20-21-24)12-22-8-2-3-9-22/h4,7,13,15H,2-3,5-6,8-12H2,1H3
InChIKeyDEDACHRIXMLKSN-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.51
Rot. Bonds5

About 4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine

4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine (PubChem CID 30877050) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine
PubChem CID30877050
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCC(n3cc(CN4CCCC4)nn3)CC2)n1
InChIInChI=1S/C17H25N7O/c1-25-16-4-7-18-17(19-16)23-10-5-15(6-11-23)24-13-14(20-21-24)12-22-8-2-3-9-22/h4,7,13,15H,2-3,5-6,8-12H2,1H3
InChIKeyDEDACHRIXMLKSN-UHFFFAOYSA-N
XLogP1.51
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-methoxy-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 137646518
2-[4-[(1-Ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-4-methoxypyrimidine
CID 72144500
8-(6-Methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97396974
[1-[(3S)-1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol
CID 164638817
2-[4-(Difluoromethyl)triazol-1-yl]-4-methoxypyrimidine
CID 175952474
(1-{[1-(6-methoxy-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanol
CID 28854477
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methoxy-N-methylpyrimidin-2-amine
CID 128970805
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxy-N-methylpyrimidin-2-amine
CID 128974859
4-Methoxy-2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 128977623
4-methoxy-2-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 129508664
4-methoxy-2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 129508665
4-Methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
CID 133450992

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine (CID 30877050) is 4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine is COc1ccnc(N2CCC(n3cc(CN4CCCC4)nn3)CC2)n1.
What is the InChIKey of 4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine?
The InChIKey is DEDACHRIXMLKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-25-16-4-7-18-17(19-16)23-10-5-15(6-11-23)24-13-14(20-21-24)12-22-8-2-3-9-22/h4,7,13,15H,2-3,5-6,8-12H2,1H3.
What are the key properties of 4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine?
4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine has a molecular weight of 343.44 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 30877050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).