1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine

C14H23N5 — CID 122096225

IUPAC1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCc1c2c(nn1C)CCCC2
InChIInChI=1S/C14H23N5/c1-18-9-5-8-15-14(18)16-10-13-11-6-3-4-7-12(11)17-19(13)2/h3-10H2,1-2H3,(H,15,16)
InChIKeyPDJDBBXHJRKEEZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.08
Rot. Bonds2

About 1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine

1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122096225) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122096225
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCc1c2c(nn1C)CCCC2
InChIInChI=1S/C14H23N5/c1-18-9-5-8-15-14(18)16-10-13-11-6-3-4-7-12(11)17-19(13)2/h3-10H2,1-2H3,(H,15,16)
InChIKeyPDJDBBXHJRKEEZ-UHFFFAOYSA-N
XLogP1.08
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine (CID 122096225) is 1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine is CN1CCCN=C1NCc1c2c(nn1C)CCCC2.
What is the InChIKey of 1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is PDJDBBXHJRKEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-18-9-5-8-15-14(18)16-10-13-11-6-3-4-7-12(11)17-19(13)2/h3-10H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122096225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).