N-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine

C11H16N6 — CID 86808957

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine
SMILESCc1[nH]ncc1CNCCNc1ncccn1
InChIInChI=1S/C11H16N6/c1-9-10(8-16-17-9)7-12-5-6-15-11-13-3-2-4-14-11/h2-4,8,12H,5-7H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyYODWOJVNXSSXMK-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.71
Rot. Bonds6

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine (PubChem CID 86808957) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine
PubChem CID86808957
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine
SMILESCc1[nH]ncc1CNCCNc1ncccn1
InChIInChI=1S/C11H16N6/c1-9-10(8-16-17-9)7-12-5-6-15-11-13-3-2-4-14-11/h2-4,8,12H,5-7H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyYODWOJVNXSSXMK-UHFFFAOYSA-N
XLogP0.71
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-methyl-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 16659680
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281529
2-N-(1-ethyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281708
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 60154284
US9932325, Example 109
CID 69093358
N-(1,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-2-pyrimidinamine
CID 134129122
N~4~,6-dimethyl-N~4~-[3-(1H-pyrazol-1-yl)propyl]-2,4-pyrimidinediamine
CID 39782655
3-ethyl-5-methyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 44317959
1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 51084988

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine (CID 86808957) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine is Cc1[nH]ncc1CNCCNc1ncccn1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine?
The InChIKey is YODWOJVNXSSXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-9-10(8-16-17-9)7-12-5-6-15-11-13-3-2-4-14-11/h2-4,8,12H,5-7H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine has a molecular weight of 232.29 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine is sourced from PubChem (CID 86808957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).