N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine

C16H17N3 — CID 103765143

IUPACN-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine
SMILESc1ccc2c(NC3C4C5CCC(C5)C34)ncnc2c1
InChIInChI=1S/C16H17N3/c1-2-4-12-11(3-1)16(18-8-17-12)19-15-13-9-5-6-10(7-9)14(13)15/h1-4,8-10,13-15H,5-7H2,(H,17,18,19)
InChIKeyRFLRQBYRVOWFOA-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.09
Rot. Bonds2

About N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine

N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine (PubChem CID 103765143) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine
PubChem CID103765143
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine
SMILESc1ccc2c(NC3C4C5CCC(C5)C34)ncnc2c1
InChIInChI=1S/C16H17N3/c1-2-4-12-11(3-1)16(18-8-17-12)19-15-13-9-5-6-10(7-9)14(13)15/h1-4,8-10,13-15H,5-7H2,(H,17,18,19)
InChIKeyRFLRQBYRVOWFOA-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylcyclohexyl)quinazolin-4-amine
CID 63994918
N-(2,2-dimethylcyclopentyl)quinazolin-4-amine
CID 79838682
N-(1-oxothian-4-yl)quinazolin-4-amine
CID 104576518
2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine
CID 114632712
N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
CID 20999363
4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide
CID 61043396
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol
CID 122172806
N-(3-ethoxycyclobutyl)quinazolin-4-amine
CID 102609150
N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine
CID 143957231
5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
CID 103765115
N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine
CID 133311667
4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130913

Frequently Asked Questions

What is the IUPAC name of N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine?
The IUPAC name of N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine (CID 103765143) is N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine?
The canonical SMILES for N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine is c1ccc2c(NC3C4C5CCC(C5)C34)ncnc2c1.
What is the InChIKey of N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine?
The InChIKey is RFLRQBYRVOWFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-4-12-11(3-1)16(18-8-17-12)19-15-13-9-5-6-10(7-9)14(13)15/h1-4,8-10,13-15H,5-7H2,(H,17,18,19).
What are the key properties of N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine?
N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine is sourced from PubChem (CID 103765143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).