N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine

C19H18N6 — CID 90095924

IUPACN-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCC(N)c1ccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cc1
InChIInChI=1S/C19H18N6/c1-12(20)13-2-4-14(5-3-13)19-21-9-8-18(24-19)23-16-6-7-17-15(10-16)11-22-25-17/h2-12H,20H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyCWUIXINUMSSEAL-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.78
Rot. Bonds4

About N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine

N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 90095924) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID90095924
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC NameN-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCC(N)c1ccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cc1
InChIInChI=1S/C19H18N6/c1-12(20)13-2-4-14(5-3-13)19-21-9-8-18(24-19)23-16-6-7-17-15(10-16)11-22-25-17/h2-12H,20H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyCWUIXINUMSSEAL-UHFFFAOYSA-N
XLogP3.78
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 122589674
8-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-(3-methylbutanoyl)-3,5-dihydro-2H-1-benzazepin-4-one
CID 153100551
N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 137387403
5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
CID 137369561
N-[(1E,3Z)-1,4-diaminopenta-1,3-dien-2-yl]-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 166862949
2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,3-dihydroisoindol-2-yl]-3-(pyridazin-4-ylamino)propanal
CID 146588163
(1E,3Z)-2-N-[[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]methyl]buta-1,3-diene-1,2,4-triamine
CID 137382051
N-[2-[2-[1-[(6-methylpyridazin-4-yl)amino]ethenyl]-1H-indol-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine
CID 167203032
2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 86210861
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1-benzothiophene-2-carboxamide
CID 137369535
2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone
CID 147495090
1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-(1,2,4-triazin-5-yl)ethanone
CID 153252153

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine (CID 90095924) is N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine is CC(N)c1ccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cc1.
What is the InChIKey of N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is CWUIXINUMSSEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-12(20)13-2-4-14(5-3-13)19-21-9-8-18(24-19)23-16-6-7-17-15(10-16)11-22-25-17/h2-12H,20H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine?
N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 330.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 90095924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).