N-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine

C12H19ClN4 — CID 115308914

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine
SMILESCC1CCCCC1(CN)Nc1ncc(Cl)cn1
InChIInChI=1S/C12H19ClN4/c1-9-4-2-3-5-12(9,8-14)17-11-15-6-10(13)7-16-11/h6-7,9H,2-5,8,14H2,1H3,(H,15,16,17)
InChIKeyGIQHTOZUYBBKBP-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.45
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine

N-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine (PubChem CID 115308914) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine
PubChem CID115308914
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine
SMILESCC1CCCCC1(CN)Nc1ncc(Cl)cn1
InChIInChI=1S/C12H19ClN4/c1-9-4-2-3-5-12(9,8-14)17-11-15-6-10(13)7-16-11/h6-7,9H,2-5,8,14H2,1H3,(H,15,16,17)
InChIKeyGIQHTOZUYBBKBP-UHFFFAOYSA-N
XLogP2.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine (CID 115308914) is N-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine is CC1CCCCC1(CN)Nc1ncc(Cl)cn1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine?
The InChIKey is GIQHTOZUYBBKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-9-4-2-3-5-12(9,8-14)17-11-15-6-10(13)7-16-11/h6-7,9H,2-5,8,14H2,1H3,(H,15,16,17).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine?
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine has a molecular weight of 254.76 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-chloropyrimidin-2-amine is sourced from PubChem (CID 115308914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).