N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine

C12H20N4O — CID 113313752

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC2(CN)CC2)ncn1
InChIInChI=1S/C12H20N4O/c1-2-5-17-11-6-10(15-9-16-11)14-8-12(7-13)3-4-12/h6,9H,2-5,7-8,13H2,1H3,(H,14,15,16)
InChIKeyRDEINNJIFFXHOH-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.42
Rot. Bonds7

About N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine

N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine (PubChem CID 113313752) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine
PubChem CID113313752
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC2(CN)CC2)ncn1
InChIInChI=1S/C12H20N4O/c1-2-5-17-11-6-10(15-9-16-11)14-8-12(7-13)3-4-12/h6,9H,2-5,7-8,13H2,1H3,(H,14,15,16)
InChIKeyRDEINNJIFFXHOH-UHFFFAOYSA-N
XLogP1.42
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115360640
N-[[1-(aminomethyl)cyclopentyl]methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 115365986
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-ethoxypyrimidin-4-amine
CID 113294686
6-ethoxy-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 104917819
3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine
CID 66331778
N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine
CID 106308236
[1-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103967277
6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761666
6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66327754
6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 79363085
N-pent-3-ynyl-6-propoxypyrimidin-4-amine
CID 116644597
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114113415

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine (CID 113313752) is N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine is CCCOc1cc(NCC2(CN)CC2)ncn1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine?
The InChIKey is RDEINNJIFFXHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-5-17-11-6-10(15-9-16-11)14-8-12(7-13)3-4-12/h6,9H,2-5,7-8,13H2,1H3,(H,14,15,16).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 113313752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).