N-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide

C7H12N6 — CID 144598528

IUPACN-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide
SMILES[H]/N=C/N(N)c1cnc(NCC)nc1
InChIInChI=1S/C7H12N6/c1-2-10-7-11-3-6(4-12-7)13(9)5-8/h3-5,8H,2,9H2,1H3,(H,10,11,12)/b8-5+
InChIKeyVQGZGEJPTHIVDV-VMPITWQZSA-N
MW180.22 g/mol
LogP0.20
Rot. Bonds4

About N-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide

N-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide (PubChem CID 144598528) has the molecular formula C7H12N6 and a molecular weight of 180.22 g/mol. Its IUPAC name is N-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide.

Molecular Properties

Compound NameN-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide
PubChem CID144598528
Molecular FormulaC7H12N6
Molecular Weight180.22 g/mol
Exact Mass180.11
IUPAC NameN-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide
SMILES[H]/N=C/N(N)c1cnc(NCC)nc1
InChIInChI=1S/C7H12N6/c1-2-10-7-11-3-6(4-12-7)13(9)5-8/h3-5,8H,2,9H2,1H3,(H,10,11,12)/b8-5+
InChIKeyVQGZGEJPTHIVDV-VMPITWQZSA-N
XLogP0.20
TPSA90.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide?
The IUPAC name of N-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide (CID 144598528) is N-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide.
What is the SMILES notation for N-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide?
The canonical SMILES for N-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide is [H]/N=C/N(N)c1cnc(NCC)nc1.
What is the InChIKey of N-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide?
The InChIKey is VQGZGEJPTHIVDV-VMPITWQZSA-N. The full InChI is InChI=1S/C7H12N6/c1-2-10-7-11-3-6(4-12-7)13(9)5-8/h3-5,8H,2,9H2,1H3,(H,10,11,12)/b8-5+.
What are the key properties of N-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide?
N-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide has a molecular weight of 180.22 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[2-(ethylamino)pyrimidin-5-yl]methanimidamide is sourced from PubChem (CID 144598528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).