1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine

C18H23N3 — CID 63250675

IUPAC1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine
SMILESCCC(N)Cc1cnc(C2CCCc3ccccc32)nc1
InChIInChI=1S/C18H23N3/c1-2-15(19)10-13-11-20-18(21-12-13)17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,11-12,15,17H,2,5,7,9-10,19H2,1H3
InChIKeySJMKXDUUAMJEQG-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.22
Rot. Bonds4

About 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine

1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine (PubChem CID 63250675) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine
PubChem CID63250675
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine
SMILESCCC(N)Cc1cnc(C2CCCc3ccccc32)nc1
InChIInChI=1S/C18H23N3/c1-2-15(19)10-13-11-20-18(21-12-13)17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,11-12,15,17H,2,5,7,9-10,19H2,1H3
InChIKeySJMKXDUUAMJEQG-UHFFFAOYSA-N
XLogP3.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350351
N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 65406414
N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 65405636
3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350305
(1S)-2-methyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900106
N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 65403888
4-(chloromethyl)-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 114245062
(1R)-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565328
4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 63611983
2-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55174707
[6-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]hydrazine
CID 63251093
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350397

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine?
The IUPAC name of 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine (CID 63250675) is 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine?
The canonical SMILES for 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine is CCC(N)Cc1cnc(C2CCCc3ccccc32)nc1.
What is the InChIKey of 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine?
The InChIKey is SJMKXDUUAMJEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-15(19)10-13-11-20-18(21-12-13)17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,11-12,15,17H,2,5,7,9-10,19H2,1H3.
What are the key properties of 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine?
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine is sourced from PubChem (CID 63250675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).