N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine

C17H21N3 — CID 65403467

IUPACN-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
SMILESCCCNc1ccnc(C2CCc3ccccc3C2)n1
InChIInChI=1S/C17H21N3/c1-2-10-18-16-9-11-19-17(20-16)15-8-7-13-5-3-4-6-14(13)12-15/h3-6,9,11,15H,2,7-8,10,12H2,1H3,(H,18,19,20)
InChIKeyQKWBCNVZIXLJBN-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.57
Rot. Bonds4

About N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine

N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine (PubChem CID 65403467) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
PubChem CID65403467
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
SMILESCCCNc1ccnc(C2CCc3ccccc3C2)n1
InChIInChI=1S/C17H21N3/c1-2-10-18-16-9-11-19-17(20-16)15-8-7-13-5-3-4-6-14(13)12-15/h3-6,9,11,15H,2,7-8,10,12H2,1H3,(H,18,19,20)
InChIKeyQKWBCNVZIXLJBN-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine?
The IUPAC name of N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine (CID 65403467) is N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine is CCCNc1ccnc(C2CCc3ccccc3C2)n1.
What is the InChIKey of N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine?
The InChIKey is QKWBCNVZIXLJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-10-18-16-9-11-19-17(20-16)15-8-7-13-5-3-4-6-14(13)12-15/h3-6,9,11,15H,2,7-8,10,12H2,1H3,(H,18,19,20).
What are the key properties of N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine?
N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 65403467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).