6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine

C12H20N4O — CID 171359123

IUPAC6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
SMILESCC(C)Oc1cc(NC[C@H]2CCNC2)ncn1
InChIInChI=1S/C12H20N4O/c1-9(2)17-12-5-11(15-8-16-12)14-7-10-3-4-13-6-10/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,14,15,16)/t10-/m0/s1
InChIKeySMGWCBSCEDXDOA-JTQLQIEISA-N
MW236.32 g/mol
LogP1.29
Rot. Bonds5

About 6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine

6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine (PubChem CID 171359123) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
PubChem CID171359123
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
SMILESCC(C)Oc1cc(NC[C@H]2CCNC2)ncn1
InChIInChI=1S/C12H20N4O/c1-9(2)17-12-5-11(15-8-16-12)14-7-10-3-4-13-6-10/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,14,15,16)/t10-/m0/s1
InChIKeySMGWCBSCEDXDOA-JTQLQIEISA-N
XLogP1.29
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimidine, 2,4-diamino-6-(2-(diethylamino)ethoxy)-
CID 202117
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
6-(2-Methylpropoxy)pyrimidin-4-amine
CID 68058468
4-Isobutoxy-2,6-diisobutylamino-pyrimidine
CID 25129161
2-[2-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxyethyl]guanidine;hydrochloride
CID 44577031
2-[3-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxypropyl]guanidine;hydrochloride
CID 44577033
2-[3-[4-[2-(Dimethylamino)ethoxy]-6-(3-propan-2-yloxypropylamino)pyrimidin-2-yl]oxypropyl]guanidine;hydrochloride
CID 44577057
N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine
CID 44577415
6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
CID 44577416
4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
CID 44577443
4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
CID 44577446
2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 44577491

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine (CID 171359123) is 6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine is CC(C)Oc1cc(NC[C@H]2CCNC2)ncn1.
What is the InChIKey of 6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is SMGWCBSCEDXDOA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)17-12-5-11(15-8-16-12)14-7-10-3-4-13-6-10/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,14,15,16)/t10-/m0/s1.
What are the key properties of 6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 171359123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).