5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine

C14H16N4 — CID 91538324

IUPAC5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine
SMILESNc1ncc([C@H]2CCc3ccccc3C2)c(N)n1
InChIInChI=1S/C14H16N4/c15-13-12(8-17-14(16)18-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11H,5-7H2,(H4,15,16,17,18)/t11-/m0/s1
InChIKeyDDVPMXAFHJXRRG-NSHDSACASA-N
MW240.31 g/mol
LogP1.91
Rot. Bonds1

About 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine

5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine (PubChem CID 91538324) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine
PubChem CID91538324
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine
SMILESNc1ncc([C@H]2CCc3ccccc3C2)c(N)n1
InChIInChI=1S/C14H16N4/c15-13-12(8-17-14(16)18-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11H,5-7H2,(H4,15,16,17,18)/t11-/m0/s1
InChIKeyDDVPMXAFHJXRRG-NSHDSACASA-N
XLogP1.91
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine (CID 91538324) is 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine is Nc1ncc([C@H]2CCc3ccccc3C2)c(N)n1.
What is the InChIKey of 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine?
The InChIKey is DDVPMXAFHJXRRG-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4/c15-13-12(8-17-14(16)18-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11H,5-7H2,(H4,15,16,17,18)/t11-/m0/s1.
What are the key properties of 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine?
5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine has a molecular weight of 240.31 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91538324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).