N-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride

C20H27ClN6 — CID 121332188

IUPACN-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride
SMILESCCCc1cc(N2CCC(NC)C2)nc(Nc2ccc3cc[nH]c3c2)n1.Cl
InChIInChI=1S/C20H26N6.ClH/c1-3-4-15-12-19(26-10-8-17(13-26)21-2)25-20(23-15)24-16-6-5-14-7-9-22-18(14)11-16;/h5-7,9,11-12,17,21-22H,3-4,8,10,13H2,1-2H3,(H,23,24,25);1H
InChIKeyVITBDPJGAAWQDW-UHFFFAOYSA-N
MW386.93 g/mol
LogP3.87
Rot. Bonds6

About N-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride

N-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride (PubChem CID 121332188) has the molecular formula C20H27ClN6 and a molecular weight of 386.93 g/mol. Its IUPAC name is N-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride.

Molecular Properties

Compound NameN-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride
PubChem CID121332188
Molecular FormulaC20H27ClN6
Molecular Weight386.93 g/mol
Exact Mass386.20
IUPAC NameN-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride
SMILESCCCc1cc(N2CCC(NC)C2)nc(Nc2ccc3cc[nH]c3c2)n1.Cl
InChIInChI=1S/C20H26N6.ClH/c1-3-4-15-12-19(26-10-8-17(13-26)21-2)25-20(23-15)24-16-6-5-14-7-9-22-18(14)11-16;/h5-7,9,11-12,17,21-22H,3-4,8,10,13H2,1-2H3,(H,23,24,25);1H
InChIKeyVITBDPJGAAWQDW-UHFFFAOYSA-N
XLogP3.87
TPSA68.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride?
The IUPAC name of N-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride (CID 121332188) is N-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride.
What is the SMILES notation for N-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride?
The canonical SMILES for N-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride is CCCc1cc(N2CCC(NC)C2)nc(Nc2ccc3cc[nH]c3c2)n1.Cl.
What is the InChIKey of N-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride?
The InChIKey is VITBDPJGAAWQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6.ClH/c1-3-4-15-12-19(26-10-8-17(13-26)21-2)25-20(23-15)24-16-6-5-14-7-9-22-18(14)11-16;/h5-7,9,11-12,17,21-22H,3-4,8,10,13H2,1-2H3,(H,23,24,25);1H.
What are the key properties of N-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride?
N-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride has a molecular weight of 386.93 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride is sourced from PubChem (CID 121332188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).