4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine

C10H19N7 — CID 80932163

IUPAC4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
SMILESCN1CCCN(c2cc(NN)nc(N)n2)CC1
InChIInChI=1S/C10H19N7/c1-16-3-2-4-17(6-5-16)9-7-8(15-12)13-10(11)14-9/h7H,2-6,12H2,1H3,(H3,11,13,14,15)
InChIKeyNLCPHWNMVDPDOW-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.51
Rot. Bonds2

About 4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine

4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine (PubChem CID 80932163) has the molecular formula C10H19N7 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
PubChem CID80932163
Molecular FormulaC10H19N7
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
SMILESCN1CCCN(c2cc(NN)nc(N)n2)CC1
InChIInChI=1S/C10H19N7/c1-16-3-2-4-17(6-5-16)9-7-8(15-12)13-10(11)14-9/h7H,2-6,12H2,1H3,(H3,11,13,14,15)
InChIKeyNLCPHWNMVDPDOW-UHFFFAOYSA-N
XLogP-0.51
TPSA96.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine (CID 80932163) is 4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine is CN1CCCN(c2cc(NN)nc(N)n2)CC1.
What is the InChIKey of 4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
The InChIKey is NLCPHWNMVDPDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7/c1-16-3-2-4-17(6-5-16)9-7-8(15-12)13-10(11)14-9/h7H,2-6,12H2,1H3,(H3,11,13,14,15).
What are the key properties of 4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine has a molecular weight of 237.31 g/mol, XLogP of -0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80932163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).