5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine

C19H25N7O — CID 50997767

IUPAC5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESCn1ccnc1CN1CCC(COc2cccc3nc(N)nc(N)c23)CC1
InChIInChI=1S/C19H25N7O/c1-25-10-7-22-16(25)11-26-8-5-13(6-9-26)12-27-15-4-2-3-14-17(15)18(20)24-19(21)23-14/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3,(H4,20,21,23,24)
InChIKeyUNJNHNJFBVMSKW-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.82
Rot. Bonds5

About 5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine

5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine (PubChem CID 50997767) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
PubChem CID50997767
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESCn1ccnc1CN1CCC(COc2cccc3nc(N)nc(N)c23)CC1
InChIInChI=1S/C19H25N7O/c1-25-10-7-22-16(25)11-26-8-5-13(6-9-26)12-27-15-4-2-3-14-17(15)18(20)24-19(21)23-14/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3,(H4,20,21,23,24)
InChIKeyUNJNHNJFBVMSKW-UHFFFAOYSA-N
XLogP1.82
TPSA108.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine (CID 50997767) is 5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine is Cn1ccnc1CN1CCC(COc2cccc3nc(N)nc(N)c23)CC1.
What is the InChIKey of 5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The InChIKey is UNJNHNJFBVMSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-25-10-7-22-16(25)11-26-8-5-13(6-9-26)12-27-15-4-2-3-14-17(15)18(20)24-19(21)23-14/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3,(H4,20,21,23,24).
What are the key properties of 5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine has a molecular weight of 367.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 50997767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).