4-N-naphthalen-2-ylpyrimidine-4,5-diamine

C14H12N4 — CID 79917712

IUPAC4-N-naphthalen-2-ylpyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1ccc2ccccc2c1
InChIInChI=1S/C14H12N4/c15-13-8-16-9-17-14(13)18-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,15H2,(H,16,17,18)
InChIKeyGOBICFPRZWFARM-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.96
Rot. Bonds2

About 4-N-naphthalen-2-ylpyrimidine-4,5-diamine

4-N-naphthalen-2-ylpyrimidine-4,5-diamine (PubChem CID 79917712) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-N-naphthalen-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-naphthalen-2-ylpyrimidine-4,5-diamine
PubChem CID79917712
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name4-N-naphthalen-2-ylpyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1ccc2ccccc2c1
InChIInChI=1S/C14H12N4/c15-13-8-16-9-17-14(13)18-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,15H2,(H,16,17,18)
InChIKeyGOBICFPRZWFARM-UHFFFAOYSA-N
XLogP2.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 79918947
4-N-pyrimidin-5-ylpyrimidine-4,5-diamine
CID 83618947
N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 711496
4-N-naphthalen-2-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80793631
5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine
CID 103517968
4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine
CID 79917337
N-naphthalen-2-ylquinazolin-4-amine
CID 110434772
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine
CID 79915694
4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 79915945
N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 2495547
2-N-naphthalen-2-ylpyrazine-2,6-diamine
CID 80647570
5-[(5-aminopyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 79917877

Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-naphthalen-2-ylpyrimidine-4,5-diamine (CID 79917712) is 4-N-naphthalen-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-naphthalen-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-naphthalen-2-ylpyrimidine-4,5-diamine is Nc1cncnc1Nc1ccc2ccccc2c1.
What is the InChIKey of 4-N-naphthalen-2-ylpyrimidine-4,5-diamine?
The InChIKey is GOBICFPRZWFARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-13-8-16-9-17-14(13)18-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,15H2,(H,16,17,18).
What are the key properties of 4-N-naphthalen-2-ylpyrimidine-4,5-diamine?
4-N-naphthalen-2-ylpyrimidine-4,5-diamine has a molecular weight of 236.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-naphthalen-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 79917712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).