N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C9H15N5 — CID 127014926

IUPACN-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1n[nH]cc1CCNC1=NCCCN1
InChIInChI=1S/C9H15N5/c1-3-10-9(11-4-1)12-5-2-8-6-13-14-7-8/h6-7H,1-5H2,(H,13,14)(H2,10,11,12)
InChIKeyORWFTUWIJPJROW-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.11
Rot. Bonds3

About N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 127014926) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID127014926
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC NameN-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1n[nH]cc1CCNC1=NCCCN1
InChIInChI=1S/C9H15N5/c1-3-10-9(11-4-1)12-5-2-8-6-13-14-7-8/h6-7H,1-5H2,(H,13,14)(H2,10,11,12)
InChIKeyORWFTUWIJPJROW-UHFFFAOYSA-N
XLogP-0.11
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 127014926) is N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is c1n[nH]cc1CCNC1=NCCCN1.
What is the InChIKey of N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is ORWFTUWIJPJROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-3-10-9(11-4-1)12-5-2-8-6-13-14-7-8/h6-7H,1-5H2,(H,13,14)(H2,10,11,12).
What are the key properties of N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 193.25 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 127014926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).