5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine

C14H18N4 — CID 39820225

IUPAC5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine
SMILESC[C@@H](c1cccc(-c2cnc(N)nc2)c1)N(C)C
InChIInChI=1S/C14H18N4/c1-10(18(2)3)11-5-4-6-12(7-11)13-8-16-14(15)17-9-13/h4-10H,1-3H3,(H2,15,16,17)/t10-/m0/s1
InChIKeyZFPARNSQMHQSEQ-JTQLQIEISA-N
MW242.33 g/mol
LogP2.35
Rot. Bonds3

About 5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine

5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine (PubChem CID 39820225) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine
PubChem CID39820225
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine
SMILESC[C@@H](c1cccc(-c2cnc(N)nc2)c1)N(C)C
InChIInChI=1S/C14H18N4/c1-10(18(2)3)11-5-4-6-12(7-11)13-8-16-14(15)17-9-13/h4-10H,1-3H3,(H2,15,16,17)/t10-/m0/s1
InChIKeyZFPARNSQMHQSEQ-JTQLQIEISA-N
XLogP2.35
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine (CID 39820225) is 5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine is C[C@@H](c1cccc(-c2cnc(N)nc2)c1)N(C)C.
What is the InChIKey of 5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine?
The InChIKey is ZFPARNSQMHQSEQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4/c1-10(18(2)3)11-5-4-6-12(7-11)13-8-16-14(15)17-9-13/h4-10H,1-3H3,(H2,15,16,17)/t10-/m0/s1.
What are the key properties of 5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine?
5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 39820225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).