N-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine

C19H26ClN5 — CID 156845861

IUPACN-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine
SMILESCC(C)C1CCN(c2ncc(Nc3ccc(CN)c(Cl)c3)cn2)CC1
InChIInChI=1S/C19H26ClN5/c1-13(2)14-5-7-25(8-6-14)19-22-11-17(12-23-19)24-16-4-3-15(10-21)18(20)9-16/h3-4,9,11-14,24H,5-8,10,21H2,1-2H3
InChIKeyYTDDTKBNQHKVOP-UHFFFAOYSA-N
MW359.91 g/mol
LogP4.20
Rot. Bonds5

About N-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine

N-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine (PubChem CID 156845861) has the molecular formula C19H26ClN5 and a molecular weight of 359.91 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine
PubChem CID156845861
Molecular FormulaC19H26ClN5
Molecular Weight359.91 g/mol
Exact Mass359.19
IUPAC NameN-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine
SMILESCC(C)C1CCN(c2ncc(Nc3ccc(CN)c(Cl)c3)cn2)CC1
InChIInChI=1S/C19H26ClN5/c1-13(2)14-5-7-25(8-6-14)19-22-11-17(12-23-19)24-16-4-3-15(10-21)18(20)9-16/h3-4,9,11-14,24H,5-8,10,21H2,1-2H3
InChIKeyYTDDTKBNQHKVOP-UHFFFAOYSA-N
XLogP4.20
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.91
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine?
The IUPAC name of N-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine (CID 156845861) is N-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for N-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for N-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine is CC(C)C1CCN(c2ncc(Nc3ccc(CN)c(Cl)c3)cn2)CC1.
What is the InChIKey of N-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine?
The InChIKey is YTDDTKBNQHKVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5/c1-13(2)14-5-7-25(8-6-14)19-22-11-17(12-23-19)24-16-4-3-15(10-21)18(20)9-16/h3-4,9,11-14,24H,5-8,10,21H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine?
N-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine has a molecular weight of 359.91 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-chlorophenyl]-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 156845861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).