4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine

C21H27N7O — CID 56949356

IUPAC4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine
SMILESCc1c(NCc2cnn(C)c2)nc(OC[C@H]2C[C@@H]2c2ccccn2)nc1N(C)C
InChIInChI=1S/C21H27N7O/c1-14-19(23-10-15-11-24-28(4)12-15)25-21(26-20(14)27(2)3)29-13-16-9-17(16)18-7-5-6-8-22-18/h5-8,11-12,16-17H,9-10,13H2,1-4H3,(H,23,25,26)/t16-,17+/m1/s1
InChIKeyDWNQQGFFUDWETP-SJORKVTESA-N
MW393.50 g/mol
LogP2.77
Rot. Bonds8

About 4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine

4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine (PubChem CID 56949356) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is 4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine
PubChem CID56949356
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine
SMILESCc1c(NCc2cnn(C)c2)nc(OC[C@H]2C[C@@H]2c2ccccn2)nc1N(C)C
InChIInChI=1S/C21H27N7O/c1-14-19(23-10-15-11-24-28(4)12-15)25-21(26-20(14)27(2)3)29-13-16-9-17(16)18-7-5-6-8-22-18/h5-8,11-12,16-17H,9-10,13H2,1-4H3,(H,23,25,26)/t16-,17+/m1/s1
InChIKeyDWNQQGFFUDWETP-SJORKVTESA-N
XLogP2.77
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine (CID 56949356) is 4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine is Cc1c(NCc2cnn(C)c2)nc(OC[C@H]2C[C@@H]2c2ccccn2)nc1N(C)C.
What is the InChIKey of 4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine?
The InChIKey is DWNQQGFFUDWETP-SJORKVTESA-N. The full InChI is InChI=1S/C21H27N7O/c1-14-19(23-10-15-11-24-28(4)12-15)25-21(26-20(14)27(2)3)29-13-16-9-17(16)18-7-5-6-8-22-18/h5-8,11-12,16-17H,9-10,13H2,1-4H3,(H,23,25,26)/t16-,17+/m1/s1.
What are the key properties of 4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine?
4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine has a molecular weight of 393.50 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine is sourced from PubChem (CID 56949356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).