N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine

C13H22N4 — CID 114759145

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCC2(CCN)CC2)ncn1
InChIInChI=1S/C13H22N4/c1-10(2)11-7-12(17-9-16-11)15-8-13(3-4-13)5-6-14/h7,9-10H,3-6,8,14H2,1-2H3,(H,15,16,17)
InChIKeyGFXWVOYUYNPPPU-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.14
Rot. Bonds6

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 114759145) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID114759145
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCC2(CCN)CC2)ncn1
InChIInChI=1S/C13H22N4/c1-10(2)11-7-12(17-9-16-11)15-8-13(3-4-13)5-6-14/h7,9-10H,3-6,8,14H2,1-2H3,(H,15,16,17)
InChIKeyGFXWVOYUYNPPPU-UHFFFAOYSA-N
XLogP2.14
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240160
N-[(1-methylsulfanylcyclobutyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 107268832
N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine
CID 107844656
6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761666
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759513
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine
CID 113313752
N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine
CID 114170114
6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 62142623
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-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine (CID 114759145) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCC2(CCN)CC2)ncn1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is GFXWVOYUYNPPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)11-7-12(17-9-16-11)15-8-13(3-4-13)5-6-14/h7,9-10H,3-6,8,14H2,1-2H3,(H,15,16,17).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114759145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).