N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine

C24H26N6O — CID 71272223

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nc(C)n2)n(C)n1
InChIInChI=1S/C24H26N6O/c1-15-10-19(30(3)29-15)13-25-23-12-24(27-16(2)26-23)31-14-18-11-20(18)22-9-8-17-6-4-5-7-21(17)28-22/h4-10,12,18,20H,11,13-14H2,1-3H3,(H,25,26,27)/t18-,20+/m1/s1
InChIKeyZWRMYOXRFVPNCH-QUCCMNQESA-N
MW414.51 g/mol
LogP4.17
Rot. Bonds7

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine

N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine (PubChem CID 71272223) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
PubChem CID71272223
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nc(C)n2)n(C)n1
InChIInChI=1S/C24H26N6O/c1-15-10-19(30(3)29-15)13-25-23-12-24(27-16(2)26-23)31-14-18-11-20(18)22-9-8-17-6-4-5-7-21(17)28-22/h4-10,12,18,20H,11,13-14H2,1-3H3,(H,25,26,27)/t18-,20+/m1/s1
InChIKeyZWRMYOXRFVPNCH-QUCCMNQESA-N
XLogP4.17
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine (CID 71272223) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine is Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nc(C)n2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
The InChIKey is ZWRMYOXRFVPNCH-QUCCMNQESA-N. The full InChI is InChI=1S/C24H26N6O/c1-15-10-19(30(3)29-15)13-25-23-12-24(27-16(2)26-23)31-14-18-11-20(18)22-9-8-17-6-4-5-7-21(17)28-22/h4-10,12,18,20H,11,13-14H2,1-3H3,(H,25,26,27)/t18-,20+/m1/s1.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine has a molecular weight of 414.51 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 71272223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).