1,2,3,4-tetrahydropyrimidine

C4H8N2 — CID 5231957

IUPAC1,2,3,4-tetrahydropyrimidine
SMILESC1=CNCNC1
InChIInChI=1S/C4H8N2/c1-2-5-4-6-3-1/h1-2,5-6H,3-4H2
InChIKeyOTPDWCMLUKMQNO-UHFFFAOYSA-N
MW84.12 g/mol
LogP-0.35
Rot. Bonds

About 1,2,3,4-tetrahydropyrimidine

1,2,3,4-tetrahydropyrimidine (PubChem CID 5231957) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrimidine
PubChem CID5231957
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name1,2,3,4-tetrahydropyrimidine
SMILESC1=CNCNC1
InChIInChI=1S/C4H8N2/c1-2-5-4-6-3-1/h1-2,5-6H,3-4H2
InChIKeyOTPDWCMLUKMQNO-UHFFFAOYSA-N
XLogP-0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 1,2,3,4-tetrahydropyrimidine (CID 5231957) is 1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 1,2,3,4-tetrahydropyrimidine is C1=CNCNC1.
What is the InChIKey of 1,2,3,4-tetrahydropyrimidine?
The InChIKey is OTPDWCMLUKMQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-2-5-4-6-3-1/h1-2,5-6H,3-4H2.
What are the key properties of 1,2,3,4-tetrahydropyrimidine?
1,2,3,4-tetrahydropyrimidine has a molecular weight of 84.12 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 5231957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).