3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol

Name: 3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₉N₅O — CID 148645761

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol

SMILES[H]/N=C(\c1cccc(O)c1)c1c(N)ncnc1NC(C)(C)C

InChIInChI=1S/C15H19N5O/c1-15(2,3)20-14-11(13(17)18-8-19-14)12(16)9-5-4-6-10(21)7-9/h4-8,16,21H,1-3H3,(H3,17,18,19,20)/b16-12+

InChIKeyNKXOJZJEEQMXGB-FOWTUZBSSA-N

MW285.35 g/mol

LogP2.39

Rot. Bonds3

About 3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol

3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol (PubChem CID 148645761) has the molecular formula C₁₅H₁₉N₅O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol.

Molecular Properties

Compound Name	3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol
PubChem CID	148645761
Molecular Formula	C₁₅H₁₉N₅O
Molecular Weight	285.35 g/mol
Exact Mass	285.16
IUPAC Name	3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol
SMILES	[H]/N=C(\c1cccc(O)c1)c1c(N)ncnc1NC(C)(C)C
InChI	InChI=1S/C15H19N5O/c1-15(2,3)20-14-11(13(17)18-8-19-14)12(16)9-5-4-6-10(21)7-9/h4-8,16,21H,1-3H3,(H3,17,18,19,20)/b16-12+
InChIKey	NKXOJZJEEQMXGB-FOWTUZBSSA-N
XLogP	2.39
TPSA	107.91 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.35
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol?

The IUPAC name of 3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol (CID 148645761) is 3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol.

What is the SMILES notation for 3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol?

The canonical SMILES for 3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol is [H]/N=C(\c1cccc(O)c1)c1c(N)ncnc1NC(C)(C)C.

What is the InChIKey of 3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol?

The InChIKey is NKXOJZJEEQMXGB-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H19N5O/c1-15(2,3)20-14-11(13(17)18-8-19-14)12(16)9-5-4-6-10(21)7-9/h4-8,16,21H,1-3H3,(H3,17,18,19,20)/b16-12+.

What are the key properties of 3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol?

3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol has a molecular weight of 285.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol is sourced from PubChem (CID 148645761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 148645761 — identifiers, structure, computed properties (public domain)

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