N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine

C11H15N5O — CID 66329022

IUPACN-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCc2ncc[nH]2)ncn1
InChIInChI=1S/C11H15N5O/c1-2-5-17-11-6-9(15-8-16-11)14-7-10-12-3-4-13-10/h3-4,6,8H,2,5,7H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyPSRRUVPURFEFEL-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.60
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine

N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine (PubChem CID 66329022) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine
PubChem CID66329022
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCc2ncc[nH]2)ncn1
InChIInChI=1S/C11H15N5O/c1-2-5-17-11-6-9(15-8-16-11)14-7-10-12-3-4-13-10/h3-4,6,8H,2,5,7H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyPSRRUVPURFEFEL-UHFFFAOYSA-N
XLogP1.60
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 64531496
6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66327754
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine
CID 66328817
4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol
CID 114332543
N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine
CID 66329796
N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine
CID 66328807
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine
CID 66329191
6-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 66327990
N-[[3-(chloromethyl)phenyl]methyl]-6-propoxypyrimidin-4-amine
CID 66332407
3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine
CID 66331778
N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide
CID 106337569
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine
CID 106303319

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine (CID 66329022) is N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine is CCCOc1cc(NCc2ncc[nH]2)ncn1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine?
The InChIKey is PSRRUVPURFEFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-5-17-11-6-9(15-8-16-11)14-7-10-12-3-4-13-10/h3-4,6,8H,2,5,7H2,1H3,(H,12,13)(H,14,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine?
N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine has a molecular weight of 233.28 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66329022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).