4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine

C14H15N5O — CID 167625495

IUPAC4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc3c(cc2OC)CN=C3)ncn1
InChIInChI=1S/C14H15N5O/c1-15-13-5-14(18-8-17-13)19-11-3-9-6-16-7-10(9)4-12(11)20-2/h3-6,8H,7H2,1-2H3,(H2,15,17,18,19)
InChIKeyPRACFPDCYDALSD-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.20
Rot. Bonds4

About 4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine

4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 167625495) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID167625495
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc3c(cc2OC)CN=C3)ncn1
InChIInChI=1S/C14H15N5O/c1-15-13-5-14(18-8-17-13)19-11-3-9-6-16-7-10(9)4-12(11)20-2/h3-6,8H,7H2,1-2H3,(H2,15,17,18,19)
InChIKeyPRACFPDCYDALSD-UHFFFAOYSA-N
XLogP2.20
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide
CID 167559796
4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid
CID 167600605
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
4-[(6-methoxy-1H-isoindol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxylic acid
CID 158817844
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 82861687
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245
(7S)-7-ethyl-4-[(6-methoxy-1H-isoindol-5-yl)amino]-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-7-carbonyl chloride;(7S)-7-ethyl-4-[(6-methoxy-1H-isoindol-5-yl)amino]-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylic acid
CID 158988356
(7R)-7-ethyl-4-[(6-methoxy-1H-isoindol-5-yl)amino]-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-7-carbonyl chloride;(7R)-7-ethyl-4-[(6-methoxy-1H-isoindol-5-yl)amino]-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylic acid
CID 158988354
6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine
CID 80759397
6-chloro-N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162217583
N,N-bis(2-hydroxyethyl)-4-[(6-methoxy-1H-isoindol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide;4-[(6-methoxy-1H-isoindol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylic acid
CID 158791091
4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80797193

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine (CID 167625495) is 4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2cc3c(cc2OC)CN=C3)ncn1.
What is the InChIKey of 4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is PRACFPDCYDALSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-15-13-5-14(18-8-17-13)19-11-3-9-6-16-7-10(9)4-12(11)20-2/h3-6,8H,7H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 269.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 167625495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).